-
1
-
-
19944393260
-
-
John Wiley & Sons, Inc: Hoboken, New Jersey
-
Plimmer, J.R.; Gammon, D.W.; Ragsdale, N.N. Encyclopedia of Agrochemicals. John Wiley & Sons, Inc: Hoboken, New Jersey, 2003.
-
(2003)
Encyclopedia of Agrochemicals
-
-
Plimmer, J.R.1
Gammon, D.W.2
Ragsdale, N.N.3
-
2
-
-
0002168404
-
-
In: Glass, E.H., Ed. National Academy Press: Washington D. C
-
Georghiou, G.P.; Taylor, C.E. In: Pesticide Resistance: Strategies and Tactics for Management, Glass, E.H., Ed. National Academy Press: Washington D.C., 1986; pp. 157-169.
-
(1986)
Pesticide Resistance: Strategies and Tactics for Management
, pp. 157-169
-
-
Georghiou, G.P.1
Taylor, C.E.2
-
3
-
-
0004797686
-
-
Lewis Publishers: Boca Raton, Boston, London, New York, Washington D. C
-
Waxman, M.F. Agrochemical and Pesticide Safety Handbook, Lewis Publishers: Boca Raton, Boston, London, New York, Washington D.C., 1998.
-
(1998)
Agrochemical and Pesticide Safety Handbook
-
-
Waxman, M.F.1
-
4
-
-
77952868004
-
Graphic rule for drug metabolism systems
-
Chou, K.C. Graphic rule for drug metabolism systems. Curr. Drug. Metab., 2010, 11, 369-378.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 369-378
-
-
Chou, K.C.1
-
5
-
-
77953334424
-
QSAR & complex network study of the HMGR inhibitors structural diversity
-
Garcia, I.; Diop, Y.F.; Gomez, G. QSAR & complex network study of the HMGR inhibitors structural diversity. Curr. Drug. Metab., 2010, 11, 307-314.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 307-314
-
-
Garcia, I.1
Diop, Y.F.2
Gomez, G.3
-
6
-
-
77953304189
-
Network topological indices, drug metabolism, and distribution
-
Gonzalez-Diaz, H. Network topological indices, drug metabolism, and distribution. Curr. Drug. Metab., 2010, 11, 283-284.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 283-284
-
-
Gonzalez-Diaz, H.1
-
7
-
-
77953301845
-
Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers
-
Gonzalez-Diaz, H.; Duardo-Sanchez, A.; Ubeira, F.M.; Prado-Prado, F.; Perez-Montoto, L.G.; Concu, R.; Podda, G.; Shen, B. Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers. Curr. Drug. Metab., 2010, 11, 379-406.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 379-406
-
-
Gonzalez-Diaz, H.1
Duardo-Sanchez, A.2
Ubeira, F.M.3
Prado-Prado, F.4
Perez-Montoto, L.G.5
Concu, R.6
Podda, G.7
Shen, B.8
-
8
-
-
77953314142
-
Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches
-
Khan, M.T. Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches. Curr. Drug. Metab., 2010, 11, 285-295.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 285-295
-
-
Khan, M.T.1
-
9
-
-
77953299848
-
Artificial intelligence techniques for colorectal cancer drug metabolism: Ontology and complex network
-
Martinez-Romero, M.; Vazquez-Naya, J.M.; Rabunal, J.R.; Pita Fernandez, S.; Macenlle, R.; Castro-Alvarino, J.; Lopez-Roses, L.; Ulla, J.L.; Martinez-Calvo, A.V.; Vazquez, S.; Pereira, J.; Porto-Pazos, A.B.; Dorado, J.; Pazos, A.; Munteanu, C.R. Artificial intelligence techniques for colorectal cancer drug metabolism: ontology and complex network. Curr. Drug. Metab., 2010, 11, 347-368.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 347-368
-
-
Martinez-Romero, M.1
Vazquez-Naya, J.M.2
Rabunal, J.R.3
Pita Fernandez, S.4
Macenlle, R.5
Castro-Alvarino, J.6
Lopez-Roses, L.7
Ulla, J.L.8
Martinez-Calvo, A.V.9
Vazquez, S.10
Pereira, J.11
Porto-Pazos, A.B.12
Dorado, J.13
Pazos, A.14
Munteanu, C.R.15
-
10
-
-
77953311470
-
Mathematical methods to analysis of topology, functional variability and evolution of metabolic systems based on different decomposition concepts
-
Mrabet, Y.; Semmar, N. Mathematical methods to analysis of topology, functional variability and evolution of metabolic systems based on different decomposition concepts. Curr. Drug. Metab., 2010, 11, 315 341.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 315-341
-
-
Mrabet, Y.1
Semmar, N.2
-
11
-
-
77953307949
-
Molecular modeling of cytochrome P450 and drug metabolism
-
Wang, J.F.; Chou, K.C. Molecular modeling of cytochrome P450 and drug metabolism. Curr. Drug. Metab., 2010, 11, 342-346.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 342-346
-
-
Wang, J.F.1
Chou, K.C.2
-
12
-
-
77953309039
-
Gender specific drug metabolism of PF-02341066 in rats--role of sulfoconjugation
-
Zhong, W.Z.; Zhan, J.; Kang, P.; Yamazaki, S. Gender specific drug metabolism of PF-02341066 in rats--role of sulfoconjugation. Curr. Drug. Metab., 2010, 11, 296-306.
-
(2010)
Curr. Drug. Metab.
, vol.11
, pp. 296-306
-
-
Zhong, W.Z.1
Zhan, J.2
Kang, P.3
Yamazaki, S.4
-
13
-
-
77957961031
-
Review of QSAR models for enzyme classes of drug targets: Theoretical background and applications in parasites, hosts, and other organisms
-
Concu, R.; Podda, G.; Ubeira, F.M.; Gonzalez-Diaz, H. Review of QSAR models for enzyme classes of drug targets: Theoretical background and applications in parasites, hosts, and other organisms. Curr. Pharm. Des., 2010, 16, 2710-2723.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2710-2723
-
-
Concu, R.1
Podda, G.2
Ubeira, F.M.3
Gonzalez-Diaz, H.4
-
14
-
-
77957964586
-
Structural contributions of substrates to their binding to P-Glycoprotein. A TOPS-MODE approach
-
Estrada, E.; Molina, E.; Nodarse, D.; Uriarte, E. Structural contributions of substrates to their binding to P-Glycoprotein. A TOPS-MODE approach. Curr. Pharm. Des., 2010, 16, 2676-2709.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2676-2709
-
-
Estrada, E.1
Molina, E.2
Nodarse, D.3
Uriarte, E.4
-
15
-
-
77957969092
-
QSAR, docking, and CoMFA studies of GSK3 inhibitors
-
Garcia, I.; Fall, Y.; Gomez, G. QSAR, docking, and CoMFA studies of GSK3 inhibitors. Curr. Pharm. Des., 2010, 16, 2666-2675.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2666-2675
-
-
Garcia, I.1
Fall, Y.2
Gomez, G.3
-
16
-
-
77957949263
-
QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology, cancer, and neurosciences
-
Gonzalez-Diaz, H. QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology, cancer, and neurosciences. Curr. Pharm. Des., 2010, 16, 2598-2600.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2598-2600
-
-
Gonzalez-Diaz, H.1
-
17
-
-
77957956659
-
Predicting drugs and proteins in parasite infections with topological indices of complex networks: Theoretical backgrounds, applications, and legal issues
-
Gonzalez-Diaz, H.; Romaris, F.; Duardo-Sanchez, A.; Perez-Montoto, L.G.; Prado-Prado, F.; Patlewicz, G.; Ubeira, F.M. Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues. Curr. Pharm. Des., 2010, 16, 2737-2764.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2737-2764
-
-
Gonzalez-Diaz, H.1
Romaris, F.2
Duardo-Sanchez, A.3
Perez-Montoto, L.G.4
Prado-Prado, F.5
Patlewicz, G.6
Ubeira, F.M.7
-
18
-
-
77957960396
-
Ligand-based computer-aided discovery of tyrosinase inhibitors. Applications of the TOMOCOMD-CARDD method to the elucidation of new compounds
-
Marrero-Ponce, Y.; Casanola-Martin, G.M.; Khan, M.T.; Torrens, F.; Rescigno, A.; Abad, C. Ligand-based computer-aided discovery of tyrosinase inhibitors. Applications of the TOMOCOMD-CARDD method to the elucidation of new compounds. Curr. Pharm. Des., 2010, 16, 2601-2624.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2601-2624
-
-
Marrero-Ponce, Y.1
Casanola-Martin, G.M.2
Khan, M.T.3
Torrens, F.4
Rescigno, A.5
Abad, C.6
-
19
-
-
77957962930
-
Drug discovery and design for complex diseases through QSAR computational methods
-
Munteanu, C.R.; Fernandez-Blanco, E.; Seoane, J.A.; Izquierdo-Novo, P.; Rodriguez-Fernandez, J.A.; Prieto-Gonzalez, J.M.; Rabunal, J.R.; Pazos, A. Drug discovery and design for complex diseases through QSAR computational methods. Curr. Pharm. Des., 2010, 16, 2640 2655.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2640-2655
-
-
Munteanu, C.R.1
Fernandez-Blanco, E.2
Seoane, J.A.3
Izquierdo-Novo, P.4
Rodriguez-Fernandez, J.A.5
Prieto-Gonzalez, J.M.6
Rabunal, J.R.7
Pazos, A.8
-
20
-
-
77957967208
-
Exploring QSARs with Extended Topochemical Atom (ETA) indices for modeling chemical and drug toxicity
-
Roy, K.; Ghosh, G. Exploring QSARs with Extended Topochemical Atom (ETA) indices for modeling chemical and drug toxicity. Curr. Pharm. Des., 2010, 16, 2625-2639.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2625-2639
-
-
Roy, K.1
Ghosh, G.2
-
21
-
-
77957941198
-
Current pharmaceutical design of antituberculosis drugs: Future perspectives
-
Speck-Planche, A.; Scotti, M.T.; de Paulo-Emerenciano, V. Current pharmaceutical design of antituberculosis drugs: future perspectives. Curr. Pharm. Des., 2010, 16, 2656-2665.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2656-2665
-
-
Speck-Planche, A.1
Scotti, M.T.2
de Paulo-Emerenciano, V.3
-
22
-
-
77957956609
-
Ontologies of drug discovery and design for neurology, cardiology and oncology
-
Vazquez-Naya, J.M.; Martinez-Romero, M.; Porto-Pazos, A.B.; Novoa, F.; Valladares-Ayerbes, M.; Pereira, J.; Munteanu, C.R.; Dorado, J. Ontologies of drug discovery and design for neurology, cardiology and oncology. Curr. Pharm. Des., 2010, 16, 2724-2736.
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 2724-2736
-
-
Vazquez-Naya, J.M.1
Martinez-Romero, M.2
Porto-Pazos, A.B.3
Novoa, F.4
Valladares-Ayerbes, M.5
Pereira, J.6
Munteanu, C.R.7
Dorado, J.8
-
23
-
-
33746220237
-
QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase
-
Duchowicz, P.R.; Fernandez, M.; Caballero, J.; Castro, E.A.; Fernandez, F.M. QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg. Med. Chem., 2006, 14, 5876-5889.
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 5876-5889
-
-
Duchowicz, P.R.1
Fernandez, M.2
Caballero, J.3
Castro, E.A.4
Fernandez, F.M.5
-
24
-
-
42449097683
-
How the parts organize in the whole? A top-down view of molecular descriptors and properties for QSAR and drug design
-
Estrada, E. How the parts organize in the whole? A top-down view of molecular descriptors and properties for QSAR and drug design. Mini Rev. Med. Chem., 2008, 8, 213-221.
-
(2008)
Mini Rev. Med. Chem.
, vol.8
, pp. 213-221
-
-
Estrada, E.1
-
25
-
-
59149084486
-
Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach
-
Gonzalez-Diaz, H.; Prado-Prado, F.; Ubeira, F.M. Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Curr. Top. Med. Chem., 2008, 8, 1676-1690.
-
(2008)
Curr. Top. Med. Chem.
, vol.8
, pp. 1676-1690
-
-
Gonzalez-Diaz, H.1
Prado-Prado, F.2
Ubeira, F.M.3
-
26
-
-
70349904699
-
Design of novel antituberculosis compounds using graph-theoretical and substructural approaches
-
Speck-Planche, A.; Scotti, M.T.; García-López, A.; Emerenciano, V.P.; Molina-Pérez, E.; Uriarte, E. Design of novel antituberculosis compounds using graph-theoretical and substructural approaches. Mol. Divers., 2009, 13, 445-458.
-
(2009)
Mol. Divers.
, vol.13
, pp. 445-458
-
-
Speck-Planche, A.1
Scotti, M.T.2
García-López, A.3
Emerenciano, V.P.4
Molina-Pérez, E.5
Uriarte, E.6
-
27
-
-
76249132000
-
Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach
-
Speck-Planche, A.; Scotti, M.T.; Emerenciano, V.P.; García-López, A.; Molina-Pérez, E.; Uriarte, E. Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach. J. Comput. Chem., 2010, 31, 882-894.
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 882-894
-
-
Speck-Planche, A.1
Scotti, M.T.2
Emerenciano, V.P.3
García-López, A.4
Molina-Pérez, E.5
Uriarte, E.6
-
28
-
-
33748304130
-
Protein bipartivity and essentiality in the yeast proteinprotein interaction network
-
Estrada, E. Protein bipartivity and essentiality in the yeast proteinprotein interaction network. J. Proteome Res., 2006, 5, 2177-2184.
-
(2006)
J. Proteome Res.
, vol.5
, pp. 2177-2184
-
-
Estrada, E.1
-
29
-
-
31344478575
-
Virtual identification of essential proteins within the protein interaction network of yeast
-
Estrada, E. Virtual identification of essential proteins within the protein interaction network of yeast. Proteomics, 2006, 6, 35-40.
-
(2006)
Proteomics
, vol.6
, pp. 35-40
-
-
Estrada, E.1
-
30
-
-
44449088493
-
Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for input-coded prediction, structural backprojection, and complex networks clustering of antiprotozoal compounds
-
Prado-Prado, F.J.; Gonzalez-Diaz, H.; de la Vega, O.M.; Ubeira, F.M.; Chou, K.C. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural backprojection, and complex networks clustering of antiprotozoal compounds. Bioorg. Med. Chem., 2008, 16, 5871-5880.
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 5871-5880
-
-
Prado-Prado, F.J.1
Gonzalez-Diaz, H.2
de la Vega, O.M.3
Ubeira, F.M.4
Chou, K.C.5
-
31
-
-
58749107670
-
Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multidistance study of the giant components of antiviral drug-drug complex networks
-
Prado-Prado, F.J.; Martinez de la Vega, O.; Uriarte, E.; Ubeira, F.M.; Chou, K.C.; Gonzalez-Diaz, H. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multidistance study of the giant components of antiviral drug-drug complex networks. Bioorg. Med. Chem., 2009, 17, 569-575.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 569-575
-
-
Prado-Prado, F.J.1
de la Martinez, V.O.2
Uriarte, E.3
Ubeira, F.M.4
Chou, K.C.5
Gonzalez-Diaz, H.6
-
32
-
-
70449513218
-
Complex network spectral moments for ATCUN motif DNA cleavage: First predictive study on proteins of human pathogen parasites
-
Munteanu, C.R.; Vazquez, J.M.; Dorado, J.; Sierra, A.P.; Sanchez Gonzalez, A.; Prado-Prado, F.J.; Gonzalez-Diaz, H. Complex network spectral moments for ATCUN motif DNA cleavage: first predictive study on proteins of human pathogen parasites. J. Proteome Res., 2009, 8, 5219-5228.
-
(2009)
J. Proteome Res.
, vol.8
, pp. 5219-5228
-
-
Munteanu, C.R.1
Vazquez, J.M.2
Dorado, J.3
Sierra, A.P.4
Sanchez Gonzalez, A.5
Prado-Prado, F.J.6
Gonzalez-Diaz, H.7
-
33
-
-
67249095008
-
Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors
-
Vina, D.; Uriarte, E.; Orallo, F.; Gonzalez-Diaz, H. Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors. Mol. Pharm., 2009, 6, 825-835.
-
(2009)
Mol. Pharm.
, vol.6
, pp. 825-835
-
-
Vina, D.1
Uriarte, E.2
Orallo, F.3
Gonzalez-Diaz, H.4
-
34
-
-
57749180853
-
QSAR and complex network study of the chiral HMGR inhibitor structural diversity
-
Garcia, I.; Munteanu, C.R.; Fall, Y.; Gomez, G.; Uriarte, E.; Gonzalez Diaz, H. QSAR and complex network study of the chiral HMGR inhibitor structural diversity. Bioorg. Med. Chem., 2009, 17, 165-175.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 165-175
-
-
Garcia, I.1
Munteanu, C.R.2
Fall, Y.3
Gomez, G.4
Uriarte, E.5
Gonzalez Diaz, H.6
-
35
-
-
28944449555
-
Modeling of cyclindependent kinase inhibition by 1H-pyrazolo[3,4-d]pyrimidine derivatives using artificial neural network ensembles
-
Fernandez, M.; Tundidor-Camba, A.; Caballero, J. Modeling of cyclindependent kinase inhibition by 1H-pyrazolo[3,4-d]pyrimidine derivatives using artificial neural network ensembles. J. Chem. Inf. Model., 2005, 45, 1884-1895.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 1884-1895
-
-
Fernandez, M.1
Tundidor-Camba, A.2
Caballero, J.3
-
36
-
-
33746929829
-
2D autocorrelation modelling of the inhibitory activity of cytokinin-derived cyclin-dependent kinase inhibitors
-
Gonzalez, M.P.; Caballero, J.; Helguera, A.M.; Garriga, M.; Gonzalez, G.; Fernandez, M. 2D autocorrelation modelling of the inhibitory activity of cytokinin-derived cyclin-dependent kinase inhibitors. Bull. Math. Biol., 2006, 68, 735-751.
-
(2006)
Bull. Math. Biol.
, vol.68
, pp. 735-751
-
-
Gonzalez, M.P.1
Caballero, J.2
Helguera, A.M.3
Garriga, M.4
Gonzalez, G.5
Fernandez, M.6
-
37
-
-
30744458142
-
Linear and non-linear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks
-
Caballero, J.; Fernandez, M. Linear and non-linear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks. J. Mol. Model., 2006, 12, 168-181.
-
(2006)
J. Mol. Model.
, vol.12
, pp. 168-181
-
-
Caballero, J.1
Fernandez, M.2
-
38
-
-
33745380521
-
Amino Acid Sequence Autocorrelation vectors and ensembles of Bayesian Regularized Genetic Neural Networks for prediction of conformational stability of human lysozyme mutants
-
Caballero, J.; Fernandez, L.; Abreu, J.I.; Fernandez, M. Amino Acid Sequence Autocorrelation vectors and ensembles of Bayesian Regularized Genetic Neural Networks for prediction of conformational stability of human lysozyme mutants. J. Chem. Inf. Model., 2006, 46, 1255-1268.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1255-1268
-
-
Caballero, J.1
Fernandez, L.2
Abreu, J.I.3
Fernandez, M.4
-
39
-
-
34250845013
-
Proteometric study of ghrelin receptor function variations upon mutations using amino acid sequence autocorrelation vectors and genetic algorithm-based least square support vector machines
-
Caballero, J.; Fernandez, L.; Garriga, M.; Abreu, J.I.; Collina, S.; Fernandez, M. Proteometric study of ghrelin receptor function variations upon mutations using amino acid sequence autocorrelation vectors and genetic algorithm-based least square support vector machines. J. Mol. Graph. Model., 2007, 26, 166-178.
-
(2007)
J. Mol. Graph. Model.
, vol.26
, pp. 166-178
-
-
Caballero, J.1
Fernandez, L.2
Garriga, M.3
Abreu, J.I.4
Collina, S.5
Fernandez, M.6
-
40
-
-
33847047522
-
Predicting activities without computing descriptors: Graph machines for QSAR
-
Goulon, A.; Picot, T.; Duprat, A.; Dreyfus, G. Predicting activities without computing descriptors: graph machines for QSAR. SAR QSAR Environ. Res., 2007, 18, 141-153.
-
(2007)
SAR QSAR Environ. Res.
, vol.18
, pp. 141-153
-
-
Goulon, A.1
Picot, T.2
Duprat, A.3
Dreyfus, G.4
-
41
-
-
57849090595
-
Prediction of fungicidal activities of rice blast disease based on least-squares support vector machines and project pursuit regression
-
Du, H.; Wang, J.; Hu, Z.; Yao, X.; Zhang, X. Prediction of fungicidal activities of rice blast disease based on least-squares support vector machines and project pursuit regression. J. Agric. Food Chem., 2008, 56, 10785-10792.
-
(2008)
J. Agric. Food Chem.
, vol.56
, pp. 10785-10792
-
-
Du, H.1
Wang, J.2
Hu, Z.3
Yao, X.4
Zhang, X.5
-
42
-
-
50149119645
-
Enzymes/nonenzymes classification model complexity based on composition, sequence, 3D and topological indices
-
Munteanu, C.R.; Gonzalez-Diaz, H.; Magalhaes, A.L. Enzymes/nonenzymes classification model complexity based on composition, sequence, 3D and topological indices. J. Theor. Biol., 2008, 254, 476 482.
-
(2008)
J. Theor. Biol.
, vol.254
, pp. 476-482
-
-
Munteanu, C.R.1
Gonzalez-Diaz, H.2
Magalhaes, A.L.3
-
43
-
-
54249125512
-
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: Focusing on applicability domain and overfitting by variable selection
-
Tetko, I.V.; Sushko, I.; Pandey, A.K.; Zhu, H.; Tropsha, A.; Papa, E.; Oberg, T.; Todeschini, R.; Fourches, D.; Varnek, A. Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection. J. Chem. Inf. Model., 2008, 48, 1733-1746.
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1733-1746
-
-
Tetko, I.V.1
Sushko, I.2
Pandey, A.K.3
Zhu, H.4
Tropsha, A.5
Papa, E.6
Oberg, T.7
Todeschini, R.8
Fourches, D.9
Varnek, A.10
-
44
-
-
0036011064
-
Photodegradation of diafenthiuron in water
-
Keum, Y.S.; Kim, J.H.; Kim, Y.W.; Kim, K.; Li, Q.X. Photodegradation of diafenthiuron in water. Pest. Manag. Sci., 2002, 58, 496-502.
-
(2002)
Pest. Manag. Sci.
, vol.58
, pp. 496-502
-
-
Keum, Y.S.1
Kim, J.H.2
Kim, Y.W.3
Kim, K.4
Li, Q.X.5
-
45
-
-
33845671352
-
Quantitative structure-retention relationships of pesticides in reversedphase high-performance liquid chromatography
-
Aschi, M.; D'Archivio, A.A.; Maggi, M.A.; Mazzeo, P.; Ruggieri, F. Quantitative structure-retention relationships of pesticides in reversedphase high-performance liquid chromatography. Anal. Chim. Acta, 2007, 582, 235-242.
-
(2007)
Anal. Chim. Acta
, vol.582
, pp. 235-242
-
-
Aschi, M.1
D'Archivio, A.A.2
Maggi, M.A.3
Mazzeo, P.4
Ruggieri, F.5
-
46
-
-
0034762614
-
Metabolism of diafenthiuron by microsomal oxidation: Procide activation and inactivation as mechanisms contributing to selectivity
-
Kayser, H.; Eilinger, P. Metabolism of diafenthiuron by microsomal oxidation: procide activation and inactivation as mechanisms contributing to selectivity. Pest. Manag. Sci., 2001, 57, 975-980.
-
(2001)
Pest. Manag. Sci.
, vol.57
, pp. 975-980
-
-
Kayser, H.1
Eilinger, P.2
-
47
-
-
0028851257
-
Effect of ingestion of 20 pesticides in combination at acceptable daily intake levels on rat liver carcinogenesis
-
Ito, N.; Hasegawa, R.; Imaida, K.; Kurata, Y.; Hagiwara, A.; Shirai, T. Effect of ingestion of 20 pesticides in combination at acceptable daily intake levels on rat liver carcinogenesis. Food Chem. Toxicol., 1995, 33, 159-163.
-
(1995)
Food Chem. Toxicol.
, vol.33
, pp. 159-163
-
-
Ito, N.1
Hasegawa, R.2
Imaida, K.3
Kurata, Y.4
Hagiwara, A.5
Shirai, T.6
-
48
-
-
0029041057
-
An aquatic toxicological evaluation of fenthion in the context of finch control in South Africa
-
Roux, D.; Jooste, S.; Truter, E.; Kempster, P. An aquatic toxicological evaluation of fenthion in the context of finch control in South Africa. Ecotoxicol. Environ. Saf., 1995, 31, 164-172.
-
(1995)
Ecotoxicol. Environ. Saf.
, vol.31
, pp. 164-172
-
-
Roux, D.1
Jooste, S.2
Truter, E.3
Kempster, P.4
-
49
-
-
0030292194
-
Effects of pesticide mixtures at the acceptable daily intake levels on rat carcinogenesis
-
Ito, N.; Hagiwara, A.; Tamano, S.; Futacuchi, M.; Imaida, K.; Shirai, T. Effects of pesticide mixtures at the acceptable daily intake levels on rat carcinogenesis. Food Chem. Toxicol., 1996, 34, 1091-1096.
-
(1996)
Food Chem. Toxicol.
, vol.34
, pp. 1091-1096
-
-
Ito, N.1
Hagiwara, A.2
Tamano, S.3
Futacuchi, M.4
Imaida, K.5
Shirai, T.6
-
50
-
-
0032616652
-
Prediction of acute mammalian toxicity of organophosphorus pesticide compounds from molecular structure
-
Eldred, D.V.; Jurs, P.C. Prediction of acute mammalian toxicity of organophosphorus pesticide compounds from molecular structure. SAR QSAR Environ. Res., 1999, 10, 75-99.
-
(1999)
SAR QSAR Environ. Res.
, vol.10
, pp. 75-99
-
-
Eldred, D.V.1
Jurs, P.C.2
-
51
-
-
0036789289
-
Long-term impacts of an organophosphate-based regime of pesticides on field and field-edge Collembola communities
-
Frampton, G.K. Long-term impacts of an organophosphate-based regime of pesticides on field and field-edge Collembola communities. Pest. Manag. Sci., 2002, 58, 991-1001.
-
(2002)
Pest. Manag. Sci.
, vol.58
, pp. 991-1001
-
-
Frampton, G.K.1
-
52
-
-
9644281487
-
Dissipation of three organochlorine and four pyrethroid pesticides sprayed in a greenhouse environment during hydroponic cultivation of gerbera
-
Hatzilazarou, S.P.; Charizopoulos, E.T.; Papadopoulou-Mourkidou, E.; Economou, A.S. Dissipation of three organochlorine and four pyrethroid pesticides sprayed in a greenhouse environment during hydroponic cultivation of gerbera. Pest. Manag. Sci., 2004, 60, 1197 1204.
-
(2004)
Pest. Manag. Sci.
, vol.60
, pp. 1197-1204
-
-
Hatzilazarou, S.P.1
Charizopoulos, E.T.2
Papadopoulou-Mourkidou, E.3
Economou, A.S.4
-
53
-
-
24044433269
-
Organophosphate-induced delayed polyneuropathy
-
Lotti, M.; Moretto, A. Organophosphate-induced delayed polyneuropathy. Toxicol. Rev., 2005, 24, 37-49.
-
(2005)
Toxicol. Rev.
, vol.24
, pp. 37-49
-
-
Lotti, M.1
Moretto, A.2
-
54
-
-
33750041323
-
Uptake and elimination of chlorpyrifos and pentachlorophenol into the freshwater amphipod Gammarus pulex
-
Ashauer, R.; Boxall, A.; Brown, C. Uptake and elimination of chlorpyrifos and pentachlorophenol into the freshwater amphipod Gammarus pulex. Arch. Environ. Contam. Toxicol., 2006, 51, 542-548.
-
(2006)
Arch. Environ. Contam. Toxicol.
, vol.51
, pp. 542-548
-
-
Ashauer, R.1
Boxall, A.2
Brown, C.3
-
55
-
-
0037309223
-
Mode of action and pesticidal activity of the natural product dunnione and of some analogues
-
Khambay, B.P.; Batty, D.; Jewess, P.J.; Bateman, G.L.; Hollomon, D.W. Mode of action and pesticidal activity of the natural product dunnione and of some analogues. Pest. Manag. Sci., 2003, 59, 174-182.
-
(2003)
Pest. Manag. Sci.
, vol.59
, pp. 174-182
-
-
Khambay, B.P.1
Batty, D.2
Jewess, P.J.3
Bateman, G.L.4
Hollomon, D.W.5
-
56
-
-
48449087968
-
Interpretation of the mechanism of acetylcholinesterase inhibition ability by organophosphorus compounds through a new conformational descriptor. an experimental and theoretical study
-
Mastrantonio, G.; Mack, H.G.; Della Vedova, C.O. Interpretation of the mechanism of acetylcholinesterase inhibition ability by organophosphorus compounds through a new conformational descriptor. an experimental and theoretical study. J. Mol. Model., 2008, 14, 813-821.
-
(2008)
J. Mol. Model.
, vol.14
, pp. 813-821
-
-
Mastrantonio, G.1
Mack, H.G.2
Della Vedova, C.O.3
-
57
-
-
1942424174
-
Point mutations associated with insecticide resistance in the Drosophila cytochrome P450 Cyp6a2 enable DDT metabolism
-
Amichot, M.; Tares, S.; Brun-Barale, A.; Arthaud, L.; Bride, J.M.; Berge, J.B. Point mutations associated with insecticide resistance in the Drosophila cytochrome P450 Cyp6a2 enable DDT metabolism. Eur. J. Biochem., 2004, 271, 1250-1257.
-
(2004)
Eur. J. Biochem.
, vol.271
, pp. 1250-1257
-
-
Amichot, M.1
Tares, S.2
Brun-Barale, A.3
Arthaud, L.4
Bride, J.M.5
Berge, J.B.6
-
58
-
-
38349032882
-
Alterations of the acetylcholinesterase enzyme in the oriental fruit fly Bactrocera dorsalis are correlated with resistance to the organophosphate insecticide fenitrothion
-
Hsu, J.C.; Wu, W.J.; Haymer, D.S.; Liao, H.Y.; Feng, H.T. Alterations of the acetylcholinesterase enzyme in the oriental fruit fly Bactrocera dorsalis are correlated with resistance to the organophosphate insecticide fenitrothion. Insect Biochem. Mol. Biol., 2008, 38, 146-154.
-
(2008)
Insect Biochem. Mol. Biol.
, vol.38
, pp. 146-154
-
-
Hsu, J.C.1
Wu, W.J.2
Haymer, D.S.3
Liao, H.Y.4
Feng, H.T.5
-
59
-
-
0032509438
-
Application of chiral chromatographic parameters in quantitative structure-activity relationship analysis of homologous malathion derivatives
-
Chilmonczyk, Z.; Ksycinska, H.; Polec, I. Application of chiral chromatographic parameters in quantitative structure-activity relationship analysis of homologous malathion derivatives. J. Chromatogr. B Biomed. Sci. Appl., 1998, 720, 65-69.
-
(1998)
J. Chromatogr. B Biomed. Sci. Appl.
, vol.720
, pp. 65-69
-
-
Chilmonczyk, Z.1
Ksycinska, H.2
Polec, I.3
-
60
-
-
0032791278
-
Quantitative structure-activity relationships for phosphoramidothioate toxicity in housefly
-
Singh, A.K. Quantitative structure-activity relationships for phosphoramidothioate toxicity in housefly. Comp. Biochem. Physiol. C Pharmacol. Toxicol. Endocrinol., 1999, 123, 241-255.
-
(1999)
Comp. Biochem. Physiol. C Pharmacol. Toxicol. Endocrinol.
, vol.123
, pp. 241-255
-
-
Singh, A.K.1
-
61
-
-
0034765781
-
Natural products as insecticides: The biology, biochemistry and quantitative structure-activity relationships of spinosyns and spinosoids
-
Sparks, T.C.; Crouse, G.D.; Durst, G. Natural products as insecticides: the biology, biochemistry and quantitative structure-activity relationships of spinosyns and spinosoids. Pest. Manag. Sci., 2001, 57, 896-905.
-
(2001)
Pest. Manag. Sci.
, vol.57
, pp. 896-905
-
-
Sparks, T.C.1
Crouse, G.D.2
Durst, G.3
-
62
-
-
0035261018
-
QSAR for acetylcholinesterase inhibition and toxicity of two classes of phosphoramidothioates
-
Spassova, D.P.; Singh, A.K. QSAR for acetylcholinesterase inhibition and toxicity of two classes of phosphoramidothioates. SAR QSAR Environ. Res., 2001, 11, 453-471.
-
(2001)
SAR QSAR Environ. Res.
, vol.11
, pp. 453-471
-
-
Spassova, D.P.1
Singh, A.K.2
-
63
-
-
0036277665
-
QSAR studies of the pyrethroid insecticides. Part 3. A putative pharmacophore derived using methodology based on molecular dynamics and hierarchical cluster analysis
-
Ford, M.G.; Hoare, N.E.; Hudson, B.D.; Nevell, T.G.; Banting, L. QSAR studies of the pyrethroid insecticides. Part 3. A putative pharmacophore derived using methodology based on molecular dynamics and hierarchical cluster analysis. J. Mol. Graph. Model., 2002, 21, 29-36.
-
(2002)
J. Mol. Graph. Model.
, vol.21
, pp. 29-36
-
-
Ford, M.G.1
Hoare, N.E.2
Hudson, B.D.3
Nevell, T.G.4
Banting, L.5
-
64
-
-
0037205623
-
QSAR evaluation of monoterpenoids' insecticidal activity
-
Grodnitzky, J.A.; Coats, J.R. QSAR evaluation of monoterpenoids' insecticidal activity. J. Agric. Food Chem., 2002, 50, 4576-4580.
-
(2002)
J. Agric. Food Chem.
, vol.50
, pp. 4576-4580
-
-
Grodnitzky, J.A.1
Coats, J.R.2
-
65
-
-
0036009037
-
Insecticidal 2-hydroxy-3-alkyl-1,4-naphthoquinones: Correlation of inhibition of ubiquinol cytochrome c oxidoreductase (complex III) with insecticidal activity
-
Jewess, P.J.; Chamberlain, K.; Boogaard, A.B.; Devonshire, A.L.; Khambay, B.P. Insecticidal 2-hydroxy-3-alkyl-1,4-naphthoquinones: correlation of inhibition of ubiquinol cytochrome c oxidoreductase (complex III) with insecticidal activity. Pest. Manag. Sci., 2002, 58, 243-247.
-
(2002)
Pest. Manag. Sci.
, vol.58
, pp. 243-247
-
-
Jewess, P.J.1
Chamberlain, K.2
Boogaard, A.B.3
Devonshire, A.L.4
Khambay, B.P.5
-
66
-
-
0036011062
-
Nicotinic acetylcholine receptor binding of imidaclopridrelated diaza compounds with various ring sizes and their insecticidal activity against Musca domestica
-
Kagabu, S.; Nishiwaki, H.; Sato, K.; Hibi, M.; Yamaoka, N.; Nakagawa, Y. Nicotinic acetylcholine receptor binding of imidaclopridrelated diaza compounds with various ring sizes and their insecticidal activity against Musca domestica. Pest. Manag. Sci., 2002, 58, 483-490.
-
(2002)
Pest. Manag. Sci.
, vol.58
, pp. 483-490
-
-
Kagabu, S.1
Nishiwaki, H.2
Sato, K.3
Hibi, M.4
Yamaoka, N.5
Nakagawa, Y.6
-
67
-
-
0037174442
-
QSAR evaluation of cyanohydrins' fumigation toxicity to house fly (Musca domestica) and lesser grain borer (Rhyzopertha dominica)
-
Park, D.S.; Grodnitzky, J.A.; Coats, J.R. QSAR evaluation of cyanohydrins' fumigation toxicity to house fly (Musca domestica) and lesser grain borer (Rhyzopertha dominica). J. Agric. Food Chem., 2002, 50, 5617-5620.
-
(2002)
J. Agric. Food Chem.
, vol.50
, pp. 5617-5620
-
-
Park, D.S.1
Grodnitzky, J.A.2
Coats, J.R.3
-
68
-
-
0036318387
-
Structure-activity relationships of benzylidene anabaseines in nicotinic acetylcholine receptors of cockroach nerve cords
-
Sultana, I.; Ikeda, I.; Ozoe, Y. Structure-activity relationships of benzylidene anabaseines in nicotinic acetylcholine receptors of cockroach nerve cords. Bioorg. Med. Chem., 2002, 10, 2963-2971.
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 2963-2971
-
-
Sultana, I.1
Ikeda, I.2
Ozoe, Y.3
-
69
-
-
0037383090
-
Structure-activity relationship study of alkynyl ether insecticide synergists and the development of MB-599 (verbutin)
-
Bertok, B.; Pap, L.; Arvai, G.; Bakonyvari, I.; Kuruczne Ribai, Z. Structure-activity relationship study of alkynyl ether insecticide synergists and the development of MB-599 (verbutin). Pest. Manag. Sci., 2003, 59, 377-392.
-
(2003)
Pest. Manag. Sci.
, vol.59
, pp. 377-392
-
-
Bertok, B.1
Pap, L.2
Arvai, G.3
Bakonyvari, I.4
Kuruczne Ribai, Z.5
-
70
-
-
0242584957
-
Ligand-based computer-aided pesticide design. A review of applications of the CoMFA and CoMSIA methodologies
-
Bordas, B.; Komives, T.; Lopata, A. Ligand-based computer-aided pesticide design. A review of applications of the CoMFA and CoMSIA methodologies. Pest. Manag. Sci., 2003, 59, 393-400.
-
(2003)
Pest. Manag. Sci.
, vol.59
, pp. 393-400
-
-
Bordas, B.1
Komives, T.2
Lopata, A.3
-
71
-
-
1542346533
-
Quantitative structure-activity relationship study on some azidopyridinyl neonicotinoid insecticides for their selective affinity towards the drosophila nicotinic receptor over mammalian alpha4beta2 receptor using electrotopological state atom index
-
Debnath, B.; Gayen, S.; Naskar, S.K.; Roy, K.; Jha, T. Quantitative structure-activity relationship study on some azidopyridinyl neonicotinoid insecticides for their selective affinity towards the drosophila nicotinic receptor over mammalian alpha4beta2 receptor using electrotopological state atom index. Drug. Des. Discov., 2003, 18, 81-89.
-
(2003)
Drug. Des. Discov.
, vol.18
, pp. 81-89
-
-
Debnath, B.1
Gayen, S.2
Naskar, S.K.3
Roy, K.4
Jha, T.5
-
72
-
-
0141857450
-
Insecticidal activity and nicotinic acetylcholine receptor binding of dinotefuran and its analogues in the housefly, Musca domestica
-
Kiriyama, K.; Nishiwaki, H.; Nakagawa, Y.; Nishimura, K. Insecticidal activity and nicotinic acetylcholine receptor binding of dinotefuran and its analogues in the housefly, Musca domestica. Pest. Manag. Sci., 2003, 59, 1093-1100.
-
(2003)
Pest. Manag. Sci.
, vol.59
, pp. 1093-1100
-
-
Kiriyama, K.1
Nishiwaki, H.2
Nakagawa, Y.3
Nishimura, K.4
-
73
-
-
0037438795
-
Insect antifeedant activity of flavones and chromones against Spodoptera litura
-
Morimoto, M.; Tanimoto, K.; Nakano, S.; Ozaki, T.; Nakano, A.; Komai, K. Insect antifeedant activity of flavones and chromones against Spodoptera litura. J. Agric. Food Chem., 2003, 51, 389-393.
-
(2003)
J. Agric. Food Chem.
, vol.51
, pp. 389-393
-
-
Morimoto, M.1
Tanimoto, K.2
Nakano, S.3
Ozaki, T.4
Nakano, A.5
Komai, K.6
-
74
-
-
7444246031
-
Quantitative structure-activity relationship study using refractotopological state atom index on some neonicotinoid insecticides
-
Debnath, B.; Gayen, S.; Basu, A.; Ghosh, B.; Srikanth, K.; Jha, T. Quantitative structure-activity relationship study using refractotopological state atom index on some neonicotinoid insecticides. Bioorg. Med. Chem., 2004, 12, 6137-6145.
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 6137-6145
-
-
Debnath, B.1
Gayen, S.2
Basu, A.3
Ghosh, B.4
Srikanth, K.5
Jha, T.6
-
75
-
-
17144404890
-
Syntheses, antifeedant activity, and QSAR analysis of new oxa(thia)diazolyl 3(2H)-pyridazinones
-
Cao, S.; Wei, N.; Zhao, C.; Li, L.; Huang, Q.; Qian, X. Syntheses, antifeedant activity, and QSAR analysis of new oxa(thia)diazolyl 3(2H)-pyridazinones. J. Agric. Food Chem., 2005, 53, 3120-3125.
-
(2005)
J. Agric. Food Chem.
, vol.53
, pp. 3120-3125
-
-
Cao, S.1
Wei, N.2
Zhao, C.3
Li, L.4
Huang, Q.5
Qian, X.6
-
76
-
-
12844250716
-
Classical and three-dimensional QSAR for the inhibition of [3H]ponasterone A binding by diacylhydrazine-type ecdysone agonists to insect Sf-9 cells
-
Nakagawa, Y.; Takahashi, K.; Kishikawa, H.; Ogura, T.; Minakuchi, C.; Miyagawa, H. Classical and three-dimensional QSAR for the inhibition of [3H]ponasterone A binding by diacylhydrazine-type ecdysone agonists to insect Sf-9 cells. Bioorg. Med. Chem., 2005, 13, 1333-1340.
-
(2005)
Bioorg. Med. Chem.
, vol.13
, pp. 1333-1340
-
-
Nakagawa, Y.1
Takahashi, K.2
Kishikawa, H.3
Ogura, T.4
Minakuchi, C.5
Miyagawa, H.6
-
77
-
-
33644870591
-
Synthesis and structure-activity relationships of 1-phenyl-1H-1,2,3-triazoles as selective insect GABA receptor antagonists
-
Alam, M.S.; Kajiki, R.; Hanatani, H.; Kong, X.; Ozoe, F.; Matsui, Y.; Matsumura, F.; Ozoe, Y. Synthesis and structure-activity relationships of 1-phenyl-1H-1,2,3-triazoles as selective insect GABA receptor antagonists. J. Agric. Food Chem., 2006, 54, 1361-1372.
-
(2006)
J. Agric. Food Chem.
, vol.54
, pp. 1361-1372
-
-
Alam, M.S.1
Kajiki, R.2
Hanatani, H.3
Kong, X.4
Ozoe, F.5
Matsui, Y.6
Matsumura, F.7
Ozoe, Y.8
-
78
-
-
34249936082
-
Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors
-
Alam, M.S.; Huang, J.; Ozoe, F.; Matsumura, F.; Ozoe, Y. Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors. Bioorg. Med. Chem., 2007, 15, 5090-5104.
-
(2007)
Bioorg. Med. Chem.
, vol.15
, pp. 5090-5104
-
-
Alam, M.S.1
Huang, J.2
Ozoe, F.3
Matsumura, F.4
Ozoe, Y.5
-
79
-
-
33847076307
-
QSAR and mode of action studies of insecticidal ecdysone agonists
-
Fujita, T.; Nakagawa, Y. QSAR and mode of action studies of insecticidal ecdysone agonists. SAR QSAR Environ. Res., 2007, 18, 77 88.
-
(2007)
SAR QSAR Environ. Res.
, vol.18
, pp. 77-88
-
-
Fujita, T.1
Nakagawa, Y.2
-
80
-
-
84924244901
-
Quantitative structure-activity relationship of some pesticides
-
Praba, G.O.; Velmurugan, D. Quantitative structure-activity relationship of some pesticides. Indian J. Biochem. Biophys., 2007, 44, 470-476.
-
(2007)
Indian J. Biochem. Biophys.
, vol.44
, pp. 470-476
-
-
Praba, G.O.1
Velmurugan, D.2
-
81
-
-
34147107127
-
Synthesis, insecticidal activity, and QSAR of novel nitromethylene neonicotinoids with tetrahydropyridine fixed cis configuration and exo-ring ether modification
-
Tian, Z.; Shao, X.; Li, Z.; Qian, X.; Huang, Q. Synthesis, insecticidal activity, and QSAR of novel nitromethylene neonicotinoids with tetrahydropyridine fixed cis configuration and exo-ring ether modification. J. Agric. Food Chem., 2007, 55, 2288-2292.
-
(2007)
J. Agric. Food Chem.
, vol.55
, pp. 2288-2292
-
-
Tian, Z.1
Shao, X.2
Li, Z.3
Qian, X.4
Huang, Q.5
-
82
-
-
33846648506
-
3DQSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors
-
Xue, C.B.; Zhang, L.; Luo, W.C.; Xie, X.Y.; Jiang, L.; Xiao, T. 3DQSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorg. Med. Chem., 2007, 15, 2006-2015.
-
(2007)
Bioorg. Med. Chem.
, vol.15
, pp. 2006-2015
-
-
Xue, C.B.1
Zhang, L.2
Luo, W.C.3
Xie, X.Y.4
Jiang, L.5
Xiao, T.6
-
83
-
-
44249097033
-
Neural network-based QSAR and insecticide discovery: Spinetoram
-
Sparks, T.C.; Crouse, G.D.; Dripps, J.E.; Anzeveno, P.; Martynow, J.; Deamicis, C.V.; Gifford, J. Neural network-based QSAR and insecticide discovery: spinetoram. J. Comput. Aided Mol. Des., 2008, 22, 393-401.
-
(2008)
J. Comput. Aided Mol. Des.
, vol.22
, pp. 393-401
-
-
Sparks, T.C.1
Crouse, G.D.2
Dripps, J.E.3
Anzeveno, P.4
Martynow, J.5
Deamicis, C.V.6
Gifford, J.7
-
84
-
-
77949352882
-
Design and synthesis of novel insecticides based on the serotonergic ligand 1-[(4 aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP)
-
Cai, M.; Li, Z.; Fan, F.; Huang, Q.; Shao, X.; Song, G. Design and synthesis of novel insecticides based on the serotonergic ligand 1-[(4 aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP). J. Agric. Food Chem., 2009, 58, 2624-2629.
-
(2009)
J. Agric. Food Chem.
, vol.58
, pp. 2624-2629
-
-
Cai, M.1
Li, Z.2
Fan, F.3
Huang, Q.4
Shao, X.5
Song, G.6
-
85
-
-
57949113130
-
Larvicidal activities of some organotin compounds on mosquito larvae: A QSAR study
-
Hansch, C.; Verma, R.P. Larvicidal activities of some organotin compounds on mosquito larvae: a QSAR study. Eur. J. Med. Chem., 2009, 44, 260-273.
-
(2009)
Eur. J. Med. Chem.
, vol.44
, pp. 260-273
-
-
Hansch, C.1
Verma, R.P.2
-
86
-
-
71849100069
-
3D-QSAR studies of insecticidal anthranilic diamides as ryanodine receptor activators using CoMFA, CoMSIA and DISCOtech
-
Liu, G.Y.; Ju, X.L.; Cheng, J.; Liu, Z.Q. 3D-QSAR studies of insecticidal anthranilic diamides as ryanodine receptor activators using CoMFA, CoMSIA and DISCOtech. Chemosphere, 2009, 78, 300-306.
-
(2009)
Chemosphere
, vol.78
, pp. 300-306
-
-
Liu, G.Y.1
Ju, X.L.2
Cheng, J.3
Liu, Z.Q.4
-
87
-
-
70649085862
-
Quantitative structure-activity relationship (QSAR) for insecticides: Development of predictive in vivo insecticide activity models
-
Naik, P.K.; Singh, T.; Singh, H. Quantitative structure-activity relationship (QSAR) for insecticides: development of predictive in vivo insecticide activity models. SAR QSAR Environ. Res., 2009, 20, 551 566.
-
(2009)
SAR QSAR Environ. Res.
, vol.20
, pp. 551-566
-
-
Naik, P.K.1
Singh, T.2
Singh, H.3
-
88
-
-
69949191350
-
Semisynthesis and quantitative structure-activity relationship (QSAR) study of novel aromatic esters of 4'-demethyl-4-deoxypodophyllotoxin as insecticidal agents
-
Xu, H.; Wang, J.; Sun, H.; Lv, M.; Tian, X.; Yao, X.; Zhang, X. Semisynthesis and quantitative structure-activity relationship (QSAR) study of novel aromatic esters of 4'-demethyl-4-deoxypodophyllotoxin as insecticidal agents. J. Agric. Food Chem., 2009, 57, 7919-7923.
-
(2009)
J. Agric. Food Chem.
, vol.57
, pp. 7919-7923
-
-
Xu, H.1
Wang, J.2
Sun, H.3
Lv, M.4
Tian, X.5
Yao, X.6
Zhang, X.7
-
89
-
-
77949350556
-
Screening rules for leads of fungicides, herbicides, and insecticides
-
Liu, B.; Zhu, F.; Huang, Y.; Wang, Y.; Yu, F.; Fan, B.; Yao, J. Screening rules for leads of fungicides, herbicides, and insecticides. J. Agric. Food Chem., 2010, 58, 2673-2684.
-
(2010)
J. Agric. Food Chem.
, vol.58
, pp. 2673-2684
-
-
Liu, B.1
Zhu, F.2
Huang, Y.3
Wang, Y.4
Yu, F.5
Fan, B.6
Yao, J.7
-
90
-
-
79958162256
-
Isolation, biological evaluation and 3D-QSAR studies of insecticidal/narcotic sesquiterpene polyol esters
-
Wei, S.P.; Ji, Z.Q.; Zhang, H.X.; Zhang, J.W.; Wang, Y.H.; Wu, W.J. Isolation, biological evaluation and 3D-QSAR studies of insecticidal/narcotic sesquiterpene polyol esters. J. Mol. Model., 2011, 17, 681-693.
-
(2011)
J. Mol. Model.
, vol.17
, pp. 681-693
-
-
Wei, S.P.1
Ji, Z.Q.2
Zhang, H.X.3
Zhang, J.W.4
Wang, Y.H.5
Wu, W.J.6
-
91
-
-
66349093047
-
Protein structure based rational design of ecdysone agonists
-
Holmwood, G.; Schindler, M. Protein structure based rational design of ecdysone agonists. Bioorg. Med. Chem., 2009, 17, 4064-4070.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 4064-4070
-
-
Holmwood, G.1
Schindler, M.2
-
92
-
-
3042750215
-
Structure-activity relationships of seco-prezizaane and picrotoxane/picrodendrane terpenoids by Quasar receptor-surface modeling
-
Schmidt, T.J.; Gurrath, M.; Ozoe, Y. Structure-activity relationships of seco-prezizaane and picrotoxane/picrodendrane terpenoids by Quasar receptor-surface modeling. Bioorg. Med. Chem., 2004, 12, 4159-4167.
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 4159-4167
-
-
Schmidt, T.J.1
Gurrath, M.2
Ozoe, Y.3
-
93
-
-
79952600178
-
Rational design of new agrochemical fungicides using substructural descriptors
-
Speck-Planche, A.; Guilarte-Montero, L.; Yera-Bueno, R.; Rojas Vargas, J.A.; Garcia-Lopez, A.; Uriarte, E.; Molina-Perez, E. Rational design of new agrochemical fungicides using substructural descriptors. Pest. Manag. Sci., 2011, 67, 438-445.
-
(2011)
Pest. Manag. Sci.
, vol.67
, pp. 438-445
-
-
Speck-Planche, A.1
Guilarte-Montero, L.2
Yera-Bueno, R.3
Rojas Vargas, J.A.4
Garcia-Lopez, A.5
Uriarte, E.6
Molina-Perez, E.7
-
94
-
-
0000486708
-
Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases
-
Viswanadhan, V.N.; Reddy, M.R.; Bacquet, R.J.; Erion, M.D. Assessment of methods used for predicting lipophilicity: application to nucleosides and nucleoside bases. J. Comput. Chem., 1993, 14, 1019 1026
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1019-1026
-
-
Viswanadhan, V.N.1
Reddy, M.R.2
Bacquet, R.J.3
Erion, M.D.4
-
96
-
-
0032823014
-
Modeling chromatographic parameters by a novel graph theoretical sub-structural approach
-
Estrada, E.; Gutierrez, Y. Modeling chromatographic parameters by a novel graph theoretical sub-structural approach. J. Chromatogr. A, 1999, 858, 187-199.
-
(1999)
J. Chromatogr. A
, vol.858
, pp. 187-199
-
-
Estrada, E.1
Gutierrez, Y.2
-
97
-
-
0001706143
-
Modeling diamagnetic and magnetooptic properties of organic compounds with the TOSS-MODE approach
-
Estrada, E.; Gutierrez, Y.; Gonzalez, H. Modeling diamagnetic and magnetooptic properties of organic compounds with the TOSS-MODE approach. J. Chem. Inf. Comput. Sci., 2000, 40, 1386-1399.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1386-1399
-
-
Estrada, E.1
Gutierrez, Y.2
Gonzalez, H.3
-
98
-
-
0001649513
-
A computer-based approach to describe the 13C NMR chemical shifts of alkanes by the generalized spectral moments of iterated line graphs
-
Estrada, E. A computer-based approach to describe the 13C NMR chemical shifts of alkanes by the generalized spectral moments of iterated line graphs. Comput. Chem., 2000, 24, 193-201.
-
(2000)
Comput. Chem.
, vol.24
, pp. 193-201
-
-
Estrada, E.1
-
99
-
-
35548940440
-
Predicting infinite dilution activity coefficients of organic compounds in water by quantumconnectivity descriptors
-
Estrada, E.; Diaz, G.A.; Delgado, E.J. Predicting infinite dilution activity coefficients of organic compounds in water by quantumconnectivity descriptors. J. Comput. Aided Mol. Des., 2006, 20, 539 548.
-
(2006)
J. Comput. Aided Mol. Des.
, vol.20
, pp. 539-548
-
-
Estrada, E.1
Diaz, G.A.2
Delgado, E.J.3
-
100
-
-
0032200893
-
Designing sedative/hypnotic compounds from a novel substructural graphtheoretical approach
-
Estrada, E.; Pena, A.; Garcia-Domenech, R. Designing sedative/hypnotic compounds from a novel substructural graphtheoretical approach. J. Comput. Aided Mol. Des., 1998, 12, 583-595.
-
(1998)
J. Comput. Aided Mol. Des.
, vol.12
, pp. 583-595
-
-
Estrada, E.1
Pena, A.2
Garcia-Domenech, R.3
-
101
-
-
0033730007
-
In silico studies for the rational discovery of anticonvulsant compounds
-
Estrada, E.; Peña, A. In silico studies for the rational discovery of anticonvulsant compounds. Bioorg. Med. Chem., 2000, 8, 2755-2770.
-
(2000)
Bioorg. Med. Chem.
, vol.8
, pp. 2755-2770
-
-
Estrada, E.1
Peña, A.2
-
102
-
-
3543075102
-
Creating molecular diversity from antioxidants in Brazilian propolis. Combination of TOPS-MODE QSAR and virtual structure generation
-
Estrada, E.; Quincoces, J.A.; Patlewicz, G. Creating molecular diversity from antioxidants in Brazilian propolis. Combination of TOPS-MODE QSAR and virtual structure generation. Mol. Divers., 2004, 8, 21-33.
-
(2004)
Mol. Divers.
, vol.8
, pp. 21-33
-
-
Estrada, E.1
Quincoces, J.A.2
Patlewicz, G.3
-
103
-
-
0034038110
-
A novel approach for the virtual screening and rational design of anticancer compounds
-
Estrada, E.; Uriarte, E.; Montero, A.; Teijeira, M.; Santana, L.; De Clercq, E. A novel approach for the virtual screening and rational design of anticancer compounds. J. Med. Chem., 2000, 43, 1975-1985.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 1975-1985
-
-
Estrada, E.1
Uriarte, E.2
Montero, A.3
Teijeira, M.4
Santana, L.5
de Clercq, E.6
-
104
-
-
0036708531
-
In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivatives
-
Estrada, E.; Vilar, S.; Uriarte, E.; Gutierrez, Y. In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivatives. J. Chem. Inf. Comput. Sci., 2002, 42, 1194-1203.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 1194-1203
-
-
Estrada, E.1
Vilar, S.2
Uriarte, E.3
Gutierrez, Y.4
-
105
-
-
0032420735
-
Structure-mutagenicity relationships in 2-furylethylene derivatives. A molecular orbital study of the role of nitro groups
-
Estrada, E. Structure-mutagenicity relationships in 2-furylethylene derivatives. A molecular orbital study of the role of nitro groups. Mutat. Res., 1998, 420, 67-75.
-
(1998)
Mutat. Res.
, vol.420
, pp. 67-75
-
-
Estrada, E.1
-
106
-
-
0035225894
-
Quantitative structure-toxicity relationships using TOPS-MODE. 1. Nitrobenzene toxicity to Tetrahymena pyriformis
-
Estrada, E.; Uriarte, E. Quantitative structure-toxicity relationships using TOPS-MODE. 1. Nitrobenzene toxicity to Tetrahymena pyriformis. SAR QSAR Environ. Res., 2001, 12, 309-324.
-
(2001)
SAR QSAR Environ. Res.
, vol.12
, pp. 309-324
-
-
Estrada, E.1
Uriarte, E.2
-
107
-
-
0035755060
-
Quantitative structure-toxicity relationships using TOPS-MODE. 2. Neurotoxicity of a non-congeneric series of solvents
-
Estrada, E.; Molina, E.; Uriarte, E. Quantitative structure-toxicity relationships using TOPS-MODE. 2. Neurotoxicity of a non-congeneric series of solvents. SAR QSAR Environ. Res., 2001, 12, 445-459.
-
(2001)
SAR QSAR Environ. Res.
, vol.12
, pp. 445-459
-
-
Estrada, E.1
Molina, E.2
Uriarte, E.3
-
108
-
-
0041402848
-
Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skin
-
Estrada, E.; Uriarte, E.; Gutierrez, Y.; Gonzalez, H. Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skin. SAR QSAR Environ. Res., 2003, 14, 145-163.
-
(2003)
SAR QSAR Environ. Res.
, vol.14
, pp. 145-163
-
-
Estrada, E.1
Uriarte, E.2
Gutierrez, Y.3
Gonzalez, H.4
-
109
-
-
34248554406
-
Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds
-
Helguera, A.M.; Gonzalez, M.P.; Cordeiro, M.N.D.S.; Perez, M.A. Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds. Toxicol. Appl. Pharmacol., 2007, 221, 189-202.
-
(2007)
Toxicol. Appl. Pharmacol.
, vol.221
, pp. 189-202
-
-
Helguera, A.M.1
Gonzalez, M.P.2
Cordeiro, M.N.D.S.3
Perez, M.A.4
-
110
-
-
41849138975
-
Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: Species, rat; sex, female; route of administration, gavage
-
Morales Helguera, A.; Perez Gonzalez, M.; Cordeiro, M.N.D.S.; Cabrera Perez, M.A. Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage. Chem. Res. Toxicol., 2008, 21, 633-642.
-
(2008)
Chem. Res. Toxicol.
, vol.21
, pp. 633-642
-
-
Morales Helguera, A.1
Perez Gonzalez, M.2
Cordeiro, M.N.D.S.3
Cabrera Perez, M.A.4
-
111
-
-
77953579952
-
Quantitative structure-activity relationship modelling of the carcinogenic risk of nitroso compounds using regression analysis and the TOPS-MODE approach
-
Helguera, A.M.; Perez-Machado, G.; Cordeiro, M.N.D.S.; Combes, R.D. Quantitative structure-activity relationship modelling of the carcinogenic risk of nitroso compounds using regression analysis and the TOPS-MODE approach. SAR QSAR Environ. Res., 2010, 21, 277 304.
-
(2010)
SAR QSAR Environ. Res.
, vol.21
, pp. 277-304
-
-
Helguera, A.M.1
Perez-Machado, G.2
Cordeiro, M.N.D.S.3
Combes, R.D.4
-
112
-
-
0029231541
-
Edge adjacency relationship and a novel topological index related to molecular volume
-
Estrada, E. Edge adjacency relationship and a novel topological index related to molecular volume. J. Chem. Inf. Comput. Sci., 1995, 35 31 33.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 31-33
-
-
Estrada, E.1
-
113
-
-
0000068058
-
Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications for the prediction of physical properties of alkanes
-
Estrada, E. Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications for the prediction of physical properties of alkanes. J. Chem. Inf. Comput. Sci. 1996, 36, 844-849.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 844-849
-
-
Estrada, E.1
-
114
-
-
0000125522
-
Spectral moments of the edge adjacency matrix in molecular graphs. 2. Molecules containing heteroatoms and QSAR applications
-
Estrada, E. Spectral moments of the edge adjacency matrix in molecular graphs. 2. Molecules containing heteroatoms and QSAR applications. J. Chem. Inf. Comput. Sci., 1997, 37, 320-328.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 320-328
-
-
Estrada, E.1
-
115
-
-
0002519128
-
Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles
-
Estrada, E. Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles. J. Chem. Inf. Comput. Sci. 1998, 38, 23-27.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 23-27
-
-
Estrada, E.1
-
117
-
-
0042093870
-
-
14th ed.; Whitehouse Station, NJ: Merck & Co., Inc: New Jersey
-
O'Neill, M.J.; Heckelman, P.E.; Koch, C.B.; Roman, K.J. The Merck Index, An Encyclopedia of Chemicals, Drugs and Biologicals, 14th ed.; Whitehouse Station, NJ: Merck & Co., Inc: New Jersey, 2006.
-
(2006)
The Merck Index, An Encyclopedia of Chemicals, Drugs and Biologicals
-
-
O'Neill, M.J.1
Heckelman, P.E.2
Koch, C.B.3
Roman, K.J.4
-
121
-
-
0020083498
-
The meaning and use of the area under a receiver operating characteristic (ROC) curve
-
Hanley, J.A.; McNeil, B.J. The meaning and use of the area under a receiver operating characteristic (ROC) curve. Radiology, 1982, 143, 29-36.
-
(1982)
Radiology
, vol.143
, pp. 29-36
-
-
Hanley, J.A.1
McNeil, B.J.2
|