메뉴 건너뛰기




Volumn 6, Issue 1, 2011, Pages 53-70

Network Topological Indices from Chem-Bioinformatics to legal sciences and back

Author keywords

Authorization of chemicals; Bioinformatics legal issues; Complex networks; Crime causality network; Evaluation; Graph theory; OECD; QSAR software copyright; QSPR models; REACH new laws of registration; Social networks; Spain financial law network; Topological Indices

Indexed keywords

AUTHORIZATION; BIOACTIVITY; BIOINFORMATICS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; COMPUTATIONAL METHODS; ELECTRIC NETWORK ANALYSIS; ELECTRIC POWER TRANSMISSION; ELECTRIC POWER TRANSMISSION NETWORKS; GRAPH THEORY; PROTEINS;

EID: 79953845618     PISSN: 15748936     EISSN: None     Source Type: Journal    
DOI: 10.2174/157489311795222347     Document Type: Article
Times cited : (24)

References (124)
  • 4
    • 59149092067 scopus 로고    scopus 로고
    • Artificial neural networks from MATLAB in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): Application to the prediction of the antagonistic activity against human platelet thrombin receptor (PAR-1)
    • Caballero J, Fernandez M. Artificial neural networks from MATLAB in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): application to the prediction of the antagonistic activity against human platelet thrombin receptor (PAR-1). Curr Top Med Chem 2008; 8: 1580-605.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1580-1605
    • Caballero, J.1    Fernandez, M.2
  • 5
    • 59149103525 scopus 로고    scopus 로고
    • Current topics on software use in medicinal chemistry: Intellectual property, taxes, and regulatory issues
    • Duardo-Sanchez A, Patlewicz G, Lopez-Diaz A. Current topics on software use in medicinal chemistry: intellectual property, taxes, and regulatory issues. Curr Top Med Chem 2008; 8: 1666-75.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1666-1675
    • Duardo-Sanchez, A.1    Patlewicz, G.2    Lopez-Diaz, A.3
  • 7
    • 59149092642 scopus 로고    scopus 로고
    • Quantitative studies on Structure-Activity and Structure-Property Relationships (QSAR/QSPR)
    • Gonzalez-Diaz H. Quantitative studies on Structure-Activity and Structure-Property Relationships (QSAR/QSPR). Curr Top Med Chem 2008; 8: 1554.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1554
    • Gonzalez-Diaz, H.1
  • 8
    • 59149084486 scopus 로고    scopus 로고
    • Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach
    • Gonzalez-Diaz H, Prado-Prado F, Ubeira FM. Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Curr Top Med Chem 2008; 8: 1676-90.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1676-1690
    • Gonzalez-Diaz, H.1    Prado-Prado, F.2    Ubeira, F.M.3
  • 10
    • 59149091775 scopus 로고    scopus 로고
    • Weka machine learning for predicting the phospholipidosis inducing potential
    • Ivanciuc O. Weka machine learning for predicting the phospholipidosis inducing potential. Curr Top Med Chem 2008; 8: 1691-709.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1691-1709
    • Ivanciuc, O.1
  • 11
    • 59149097144 scopus 로고    scopus 로고
    • Medicinal chemistry and the molecular operating environment (MOE): Application of QSAR and molecular docking to drug discovery
    • Vilar S, Cozza G, Moro S. Medicinal chemistry and the molecular operating environment (MOE): application of QSAR and molecular docking to drug discovery. Curr Top Med Chem 2008; 8: 1555-72.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1555-1572
    • Vilar, S.1    Cozza, G.2    Moro, S.3
  • 12
    • 59149083761 scopus 로고    scopus 로고
    • Drug candidates from traditional chinese medicines
    • Wang JF, Wei DQ, Chou KC. Drug candidates from traditional chinese medicines. Curr Top Med Chem 2008; 8: 1656-65.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1656-1665
    • Wang, J.F.1    Wei, D.Q.2    Chou, K.C.3
  • 13
    • 59149104827 scopus 로고    scopus 로고
    • Pharmacogenomics and personalized use of drugs
    • Wang JF, Wei DQ, Chou KC. Pharmacogenomics and personalized use of drugs. Curr Top Med Chem 2008; 8: 1573-9.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1573-1579
    • Wang, J.F.1    Wei, D.Q.2    Chou, K.C.3
  • 14
    • 72449155238 scopus 로고    scopus 로고
    • Topological charge-transfer indices: From small molecules to proteins
    • Torrens F, Castellano G. Topological charge-transfer indices: From small molecules to proteins. Curr Proteomics 2009: 204-13.
    • (2009) Curr Proteomics , pp. 204-213
    • Torrens, F.1    Castellano, G.2
  • 15
    • 72449156778 scopus 로고    scopus 로고
    • 3D entropy and moments prediction of enzyme classes and experimentaltheoretic study of peptide fingerprints in Leishmania parasites
    • Concu R, Dea-Ayuela MA, Perez-Montoto LG, et al. 3D entropy and moments prediction of enzyme classes and experimentaltheoretic study of peptide fingerprints in Leishmania parasites. Biochimi Biophys Acta 2009; 1794: 1784-94.
    • (2009) Biochimi Biophys Acta , vol.1794 , pp. 1784-1794
    • Concu, R.1    Dea-Ayuela, M.A.2    Perez-Montoto, L.G.3
  • 16
    • 72449181810 scopus 로고    scopus 로고
    • Machine learning Quantitative Structure-Activity Relationships (QSAR) for peptides binding to Human Amphiphysin-1 SH3 domain
    • Ivanciuc O. Machine learning Quantitative Structure-Activity Relationships (QSAR) for peptides binding to Human Amphiphysin-1 SH3 domain. Curr Proteomics 2009; 4: 289-302.
    • (2009) Curr Proteomics , vol.4 , pp. 289-302
    • Ivanciuc, O.1
  • 17
    • 70350187090 scopus 로고    scopus 로고
    • A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer
    • Vilar S, Gonzalez-Diaz H, Santana L, Uriarte E. A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer. J Theor Biol 2009; 261: 449-58.
    • (2009) J Theor Biol , vol.261 , pp. 449-458
    • Vilar, S.1    Gonzalez-Diaz, H.2    Santana, L.3    Uriarte, E.4
  • 18
    • 72449143779 scopus 로고    scopus 로고
    • Proteins as Networks: A mesoscopic approach using haemoglobin molecule as case study
    • Giuliani A, Di Paola L, Setola R. Proteins as Networks: A mesoscopic approach using haemoglobin molecule as case study. Curr Proteomics 2009; 6: 235-45.
    • (2009) Curr Proteomics , vol.6 , pp. 235-245
    • Giuliani, A.1    Di Paola, L.2    Setola, R.3
  • 19
    • 72449203319 scopus 로고    scopus 로고
    • Pseudo amino acid composition and its applications in bioinformatics, proteomics and system biology
    • Chou KC. Pseudo amino acid composition and its applications in bioinformatics, proteomics and system biology. Curr Proteomics 2009; 6: 262-74.
    • (2009) Curr Proteomics , vol.6 , pp. 262-274
    • Chou, K.C.1
  • 20
    • 72449187659 scopus 로고    scopus 로고
    • Computational analysis of amino acid mutation: A proteome wide perspective
    • Chen J, Shen B. Computational analysis of amino acid mutation: A proteome wide perspective. Curr Proteomics 2009; 6: 228-34.
    • (2009) Curr Proteomics , vol.6 , pp. 228-234
    • Chen, J.1    Shen, B.2
  • 21
    • 77953309039 scopus 로고    scopus 로고
    • Gender specific drug metabolism of PF-02341066 in rats--role of sulfoconjugation
    • Zhong WZ, 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
  • 22
    • 77953307949 scopus 로고    scopus 로고
    • Molecular modeling of cytochrome P450 and drug metabolism
    • Wang JF, Chou KC. Molecular modeling of cytochrome P450 and drug metabolism. Curr Drug Metab 2010; 11: 342-6.
    • (2010) Curr Drug Metab , vol.11 , pp. 342-346
    • Wang, J.F.1    Chou, K.C.2
  • 23
    • 77953311470 scopus 로고    scopus 로고
    • 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: 315-41.
    • (2010) Curr Drug Metab , vol.11 , pp. 315-341
    • Mrabet, Y.1    Semmar, N.2
  • 24
    • 77953299848 scopus 로고    scopus 로고
    • Artificial intelligence techniques for colorectal cancer drug metabolism: Ontology and complex network
    • Martinez-Romero M, Vazquez-Naya JM, Rabunal JR, et al. Artificial intelligence techniques for colorectal cancer drug metabolism: ontology and complex network. Curr Drug Metab 2010; 11: 347-68.
    • (2010) Curr Drug Metab , vol.11 , pp. 347-368
    • Martinez-Romero, M.1    Vazquez-Naya, J.M.2    Rabunal, J.R.3
  • 25
    • 77953314142 scopus 로고    scopus 로고
    • Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches
    • Khan MT. Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches. Curr Drug Metab 2010; 11: 285-95.
    • (2010) Curr Drug Metab , vol.11 , pp. 285-295
    • Khan, M.T.1
  • 26
    • 77953301845 scopus 로고    scopus 로고
    • 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 FM, et al. 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
  • 27
    • 77953304189 scopus 로고    scopus 로고
    • Network topological indices, drug metabolism, and distribution
    • Gonzalez-Diaz H. Network topological indices, drug metabolism, and distribution. Curr Drug Metab 2010; 11: 283-4.
    • (2010) Curr Drug Metab , vol.11 , pp. 283-284
    • Gonzalez-Diaz, H.1
  • 28
    • 77953334424 scopus 로고    scopus 로고
    • QSAR & complex network study of the HMGR inhibitors structural diversity
    • Garcia I, Diop YF, Gomez G. QSAR & complex network study of the HMGR inhibitors structural diversity. Curr Drug Metab 2010; 11: 307-14.
    • (2010) Curr Drug Metab , vol.11 , pp. 307-314
    • Garcia, I.1    Diop, Y.F.2    Gomez, G.3
  • 29
    • 77952868004 scopus 로고    scopus 로고
    • Graphic rule for drug metabolism systems
    • Chou KC. Graphic rule for drug metabolism systems. Curr Drug Metab 2010; 11: 369-78.
    • (2010) Curr Drug Metab , vol.11 , pp. 369-378
    • Chou, K.C.1
  • 30
    • 77957961031 scopus 로고    scopus 로고
    • 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 FM, 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 Design 2010; 16: 2710-23.
    • (2010) Curr Pharm Design , vol.16 , pp. 2710-2723
    • Concu, R.1    Podda, G.2    Ubeira, F.M.3    Gonzalez-Diaz, H.4
  • 31
    • 77957964586 scopus 로고    scopus 로고
    • 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 Design 2010; 16: 2676-709.
    • (2010) Curr Pharm Design , vol.16 , pp. 2676-2709
    • Estrada, E.1    Molina, E.2    Nodarse, D.3    Uriarte, E.4
  • 32
    • 77957969092 scopus 로고    scopus 로고
    • QSAR, docking, and CoMFA studies of GSK3 inhibitors
    • Garcia I, Fall Y, Gomez G. QSAR, docking, and CoMFA studies of GSK3 inhibitors. Curr Pharm Design 2010; 16: 2666-75.
    • (2010) Curr Pharm Design , vol.16 , pp. 2666-2675
    • Garcia, I.1    Fall, Y.2    Gomez, G.3
  • 33
    • 77957949263 scopus 로고    scopus 로고
    • 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 Design 2010; 16: 2598-600.
    • (2010) Curr Pharm Design , vol.16 , pp. 2598-2600
    • Gonzalez-Diaz, H.1
  • 34
    • 77957956659 scopus 로고    scopus 로고
    • 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, et al. Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues. Curr Pharm Design 2010; 16: 2737-64.
    • (2010) Curr Pharm Design , vol.16 , pp. 2737-2764
    • Gonzalez-Diaz, H.1    Romaris, F.2    Duardo-Sanchez, A.3
  • 35
    • 77957960396 scopus 로고    scopus 로고
    • 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 GM, Khan MT, 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 Design 2010; 16: 2601-24.
    • (2010) Curr Pharm Design , 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
  • 36
    • 77957962930 scopus 로고    scopus 로고
    • Drug discovery and design for complex diseases through QSAR computational methods
    • Munteanu CR, Fernandez-Blanco E, Seoane JA, et al. Drug discovery and design for complex diseases through QSAR computational methods. Curr Pharm Design 2010; 16: 2640-55.
    • (2010) Curr Pharm Design , vol.16 , pp. 2640-2655
    • Munteanu, C.R.1    Fernandez-Blanco, E.2    Seoane, J.A.3
  • 37
    • 77957967208 scopus 로고    scopus 로고
    • 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 Design 2010; 16: 2625-39.
    • (2010) Curr Pharm Design , vol.16 , pp. 2625-2639
    • Roy, K.1    Ghosh, G.2
  • 38
    • 77957941198 scopus 로고    scopus 로고
    • Current pharmaceutical design of antituberculosis drugs: Future perspectives
    • Speck-Planche A, Scotti MT, de Paulo-Emerenciano V. Current pharmaceutical design of antituberculosis drugs: future perspectives. Curr Pharm Design 2010; 16: 2656-65.
    • (2010) Curr Pharm Design , vol.16 , pp. 2656-2665
    • Speck-Planche, A.1    Scotti, M.T.2    de Paulo-Emerenciano, V.3
  • 39
    • 77957956609 scopus 로고    scopus 로고
    • Ontologies of drug discovery and design for neurology, cardiology and oncology
    • Vazquez-Naya JM, Martinez-Romero M, Porto-Pazos AB, et al. Ontologies of drug discovery and design for neurology, cardiology and oncology. Curr Pharm Design 2010; 16: 2724-36.
    • (2010) Curr Pharm Design , vol.16 , pp. 2724-2736
    • Vazquez-Naya, J.M.1    Martinez-Romero, M.2    Porto-Pazos, A.B.3
  • 41
    • 20344365949 scopus 로고    scopus 로고
    • The analysis of social networks
    • In, Hardy M, Bryman A, Eds. London: Sage Publications
    • Breiger R. The analysis of social networks. In Handbook of Data Analysis, Hardy M, Bryman A, Eds. London: Sage Publications 2004; pp. 505-26.
    • (2004) Handbook of Data Analysis , pp. 505-526
    • Breiger, R.1
  • 43
    • 79953851735 scopus 로고    scopus 로고
    • Social structure
    • In, Oxford: Oxford University Press
    • Craig C. Social structure. In: dictionary of the social sciences. Oxford: Oxford University Press 2002.
    • (2002) Dictionary of the social sciences
    • Craig, C.1
  • 44
    • 84925899978 scopus 로고
    • Scott boorman and ronald breiger. social structure from multiple networks: I blockmodels of roles and positions
    • White H. Scott boorman and ronald breiger. social structure from multiple networks: I blockmodels of roles and positions. Am J Soc 1976; 81: 730-80.
    • (1976) Am J Soc , vol.81 , pp. 730-780
    • White, H.1
  • 46
    • 0038718854 scopus 로고    scopus 로고
    • The structure and function of complex networks
    • Newman M. The structure and function of complex networks. SIAM Rev 2003; 56: 167-256.
    • (2003) SIAM Rev , vol.56 , pp. 167-256
    • Newman, M.1
  • 47
    • 0038718854 scopus 로고    scopus 로고
    • The structure and function of complex networks
    • Newman M. The structure and function of complex networks. SIAM Rev 2003; pp. 167-256.
    • (2003) SIAM Rev , pp. 167-256
    • Newman, M.1
  • 49
    • 84939129511 scopus 로고
    • Robust action and the rise of the Medici, 1400-1434
    • Padgett JF, Ansell CKJF. Robust action and the rise of the Medici, 1400-1434. Am J Soc 1993; 98: 259-1319.
    • (1993) Am J Soc , vol.98 , pp. 259-1319
    • Padgett, J.F.1    Ansell, C.K.J.F.2
  • 50
    • 84912487215 scopus 로고
    • Interlocking directorates and control of corporations: The theory of bank control
    • Mariolis P. Interlocking directorates and control of corporations: The theory of bank control. Soc Sci Quart 1975; 56: 425-39.
    • (1975) Soc Sci Quart , vol.56 , pp. 425-439
    • Mariolis, P.1
  • 54
    • 0035159445 scopus 로고    scopus 로고
    • Recent advances on the role of topological indices in drug discovery research
    • Estrada E, Uriarte E. Recent advances on the role of topological indices in drug discovery research. Curr Med Chem 2001; 8: 1573-88.
    • (2001) Curr Med Chem , vol.8 , pp. 1573-1588
    • Estrada, E.1    Uriarte, E.2
  • 57
    • 34447254270 scopus 로고    scopus 로고
    • Medicinal chemistry and bioinformatics-current trends in drugs discovery with networks topological indices
    • González-Díaz H, Vilar S, Santana L, Uriarte E. Medicinal chemistry and bioinformatics-current trends in drugs discovery with networks topological indices. Curr Top Med Chem 2007; 7: 1025-39.
    • (2007) Curr Top Med Chem , vol.7 , pp. 1025-1039
    • González-Díaz, H.1    Vilar, S.2    Santana, L.3    Uriarte, E.4
  • 58
    • 0000645097 scopus 로고    scopus 로고
    • Generalization of topological indices
    • Estrada E. Generalization of topological indices. Chem Phys Lett 2001; 336: 248-52.
    • (2001) Chem Phys Lett , vol.336 , pp. 248-252
    • Estrada, E.1
  • 59
    • 14644425176 scopus 로고    scopus 로고
    • QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
    • Gonzalez-Diaz H, Cruz-Monteagudo M, Vina D, Santana L, Uriarte E, De Clercq E. QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices. Bioorg Med Chem Lett 2005; 15: 1651-7.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 1651-1657
    • Gonzalez-Diaz, H.1    Cruz-Monteagudo, M.2    Vina, D.3    Santana, L.4    Uriarte, E.5    de Clercq, E.6
  • 61
    • 27744526372 scopus 로고    scopus 로고
    • Simplex optimization of generalized topological index (GTI-Simplex): A unified approach to optimize QSPR models
    • Matamala AR, Estrada E. Simplex optimization of generalized topological index (GTI-Simplex): A unified approach to optimize QSPR models. J Phys Chem A 2005; 109: 9890-5.
    • (2005) J Phys Chem A , vol.109 , pp. 9890-9895
    • Matamala, A.R.1    Estrada, E.2
  • 62
    • 21644443741 scopus 로고    scopus 로고
    • Generalised topological indices: Optimisation methodology and physico-chemical interpretation
    • Matamala AR, Estrada E. Generalised topological indices: Optimisation methodology and physico-chemical interpretation. Chem Phys Lett 2005; 410: 343-7.
    • (2005) Chem Phys Lett , vol.410 , pp. 343-347
    • Matamala, A.R.1    Estrada, E.2
  • 63
    • 14644425176 scopus 로고    scopus 로고
    • QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
    • González-Díaz H, Cruz-Monteagudo M, Vina D, Santana L, Uriarte E, De Clercq E. QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices. Bioorg Med Chem Lett 2005; 15: 1651-7.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 1651-1657
    • González-Díaz, H.1    Cruz-Monteagudo, M.2    Vina, D.3    Santana, L.4    Uriarte, E.5    de Clercq, E.6
  • 65
    • 0001728908 scopus 로고    scopus 로고
    • Quantum-chemical descriptors in QSAR/QSPR studies
    • Karelson M, Lobanov VS, Katritzky AR. Quantum-chemical descriptors in QSAR/QSPR studies. Chem Rev 1996; 96: 1027-44.
    • (1996) Chem Rev , vol.96 , pp. 1027-1044
    • Karelson, M.1    Lobanov, V.S.2    Katritzky, A.R.3
  • 66
    • 32844458209 scopus 로고    scopus 로고
    • Antimalarial activity: A QSAR modeling using CODESSA PRO software
    • Katritzky AR, Kulshyn OV, Stoyanova-Slavova I, et al. Antimalarial activity: a QSAR modeling using CODESSA PRO software. Bioorg Med Chem 2006; 14: 2333-57.
    • (2006) Bioorg Med Chem , vol.14 , pp. 2333-2357
    • Katritzky, A.R.1    Kulshyn, O.V.2    Stoyanova-Slavova, I.3
  • 67
    • 25444482839 scopus 로고    scopus 로고
    • PathwayVoyager: Pathway mapping using the Kyoto Encyclopedia of Genes and Genomes (KEGG) database
    • Altermann E, Klaenhammer TR. PathwayVoyager: pathway mapping using the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. BMC Genomics 2005; 6: 60.
    • (2005) BMC Genomics , vol.6 , pp. 60
    • Altermann, E.1    Klaenhammer, T.R.2
  • 68
    • 35548940440 scopus 로고    scopus 로고
    • Predicting infinite dilution activity coefficients of organic compounds in water by quantumconnectivity descriptors
    • Estrada E, Diaz GA, Delgado EJ. Predicting infinite dilution activity coefficients of organic compounds in water by quantumconnectivity descriptors. J Comput Aided Mol Des 2006; 20: 539-48.
    • (2006) J Comput Aided Mol Des , vol.20 , pp. 539-548
    • Estrada, E.1    Diaz, G.A.2    Delgado, E.J.3
  • 69
    • 0035225894 scopus 로고    scopus 로고
    • 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: 309-24.
    • (2001) SAR QSAR Environ Res , vol.12 , pp. 309-324
    • Estrada, E.1    Uriarte, E.2
  • 70
    • 34147122065 scopus 로고    scopus 로고
    • Mendelian inheritance in man and its online version, OMIM
    • McKusick VA. Mendelian inheritance in man and its online version, OMIM. Am J Human Genet 2007; 80: 588-604.
    • (2007) Am J Human Genet , vol.80 , pp. 588-604
    • McKusick, V.A.1
  • 71
    • 79952112441 scopus 로고    scopus 로고
    • Probabilistic peak calling and controlling false discovery rate estimations in transcription factor binding site mapping from ChIP-seq
    • Jiao S, Bailey CP, Zhang S, Ladunga I. Probabilistic peak calling and controlling false discovery rate estimations in transcription factor binding site mapping from ChIP-seq. Methods Mol Biol 2010; 674: 161-77.
    • (2010) Methods Mol Biol , vol.674 , pp. 161-177
    • Jiao, S.1    Bailey, C.P.2    Zhang, S.3    Ladunga, I.4
  • 72
    • 0034597582 scopus 로고    scopus 로고
    • 2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors
    • Hoffman BT, Kopajtic T, Katz JL, Newman AH. 2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors. J Med Chem 2000; 43: 4151-9.
    • (2000) J Med Chem , vol.43 , pp. 4151-4159
    • Hoffman, B.T.1    Kopajtic, T.2    Katz, J.L.3    Newman, A.H.4
  • 73
    • 0034069495 scopus 로고    scopus 로고
    • Gene ontology: Tool for the unification of biology. The Gene Ontology Consortium
    • Ashburner M, Ball CA, Blake JA, et al. Gene ontology: tool for the unification of biology. The Gene Ontology Consortium. Nat Genet 2000; 25: 25-9.
    • (2000) Nat Genet , vol.25 , pp. 25-29
    • Ashburner, M.1    Ball, C.A.2    Blake, J.A.3
  • 76
    • 85195238395 scopus 로고    scopus 로고
    • International Legal Protection for Software
    • (25/9/2007)
    • International Legal Protection for Software. http://www.softwareprotection. com/ (25/9/2007).
  • 79
    • 8344223858 scopus 로고    scopus 로고
    • The prospects for using (Q)SARs in a changing political environment--high expectations and a key role for the European Commission's joint research centre
    • Worth AP, Van Leeuwen CJ, Hartung T. The prospects for using (Q)SARs in a changing political environment--high expectations and a key role for the European Commission's joint research centre. SAR QSAR Environ Res 2004; 15: 331-43.
    • (2004) SAR QSAR Environ Res , vol.15 , pp. 331-343
    • Worth, A.P.1    van Leeuwen, C.J.2    Hartung, T.3
  • 80
    • 8344272925 scopus 로고    scopus 로고
    • The role of the European centre for the validation of alternative methods (ECVAM) in the validation of (Q)SARs
    • Worth AP, Hartung T, Van Leeuwen CJ. The role of the European centre for the validation of alternative methods (ECVAM) in the validation of (Q)SARs. SAR QSAR Environ Res 2004; 15: 345-58.
    • (2004) SAR QSAR Environ Res , vol.15 , pp. 345-358
    • Worth, A.P.1    Hartung, T.2    van Leeuwen, C.J.3
  • 81
    • 0142089686 scopus 로고    scopus 로고
    • Guidelines for developing and using quantitative structure-activity relationships
    • Walker J, Jaworska J, Comber M, Schultz T, Dearden J. Guidelines for developing and using quantitative structure-activity relationships. Environ Toxicol Chem 2003; 22: 1653-65.
    • (2003) Environ Toxicol Chem , vol.22 , pp. 1653-1665
    • Walker, J.1    Jaworska, J.2    Comber, M.3    Schultz, T.4    Dearden, J.5
  • 83
    • 0012906771 scopus 로고    scopus 로고
    • Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints
    • Jaworska J, Comber M, Auer C, Van Leeuwen CJ. Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints. Environ Health Perspect Mini Monogr 2003; 10: 1358-60.
    • (2003) Environ Health Perspect Mini Monogr , vol.10 , pp. 1358-1360
    • Jaworska, J.1    Comber, M.2    Auer, C.3    van Leeuwen, C.J.4
  • 84
    • 34249110293 scopus 로고    scopus 로고
    • The specificity of the QSAR models for regulatory purposes: The example of the DEMETRA project
    • Benfenati E. The specificity of the QSAR models for regulatory purposes: the example of the DEMETRA project. SAR QSAR Environ Res 2007; 18: 209-20.
    • (2007) SAR QSAR Environ Res , vol.18 , pp. 209-220
    • Benfenati, E.1
  • 85
    • 40949119086 scopus 로고    scopus 로고
    • Regulatory perspectives in the use and validation of QSAR. A case study: DEMETRA model for Daphnia toxicity
    • Porcelli C, Boriani E, Roncaglioni A, Chana A, Benfenati E. Regulatory perspectives in the use and validation of QSAR. A case study: DEMETRA model for Daphnia toxicity. Environ Sci Technol 2008; 42: 491-6.
    • (2008) Environ Sci Technol , vol.42 , pp. 491-496
    • Porcelli, C.1    Boriani, E.2    Roncaglioni, A.3    Chana, A.4    Benfenati, E.5
  • 86
    • 42049106408 scopus 로고    scopus 로고
    • A comparison of DEMETRA individual QSARs with an index for evaluation of uncertainty
    • Porcelli C, Roncaglioni A, Chana A, Benfenati E. A comparison of DEMETRA individual QSARs with an index for evaluation of uncertainty. Chemosphere 2008; 71: 1845-52.
    • (2008) Chemosphere , vol.71 , pp. 1845-1852
    • Porcelli, C.1    Roncaglioni, A.2    Chana, A.3    Benfenati, E.4
  • 88
    • 0036119438 scopus 로고    scopus 로고
    • Mathematical modeling and quantitative methods
    • Edler L, Poirier K, Dourson M, et al. Mathematical modeling and quantitative methods. Food Chem Toxicol 2002; 40: 283-326.
    • (2002) Food Chem Toxicol , vol.40 , pp. 283-326
    • Edler, L.1    Poirier, K.2    Dourson, M.3
  • 89
    • 0037230506 scopus 로고    scopus 로고
    • An overall strategy for the testing of chemicals for human hazard and risk assessment under the EU REACH system
    • Barratt R, Balls M. An overall strategy for the testing of chemicals for human hazard and risk assessment under the EU REACH system. Altern Lab Anim 2003; 31: 19-20.
    • (2003) Altern Lab Anim , vol.31 , pp. 19-20
    • Barratt, R.1    Balls, M.2
  • 90
    • 0343183361 scopus 로고    scopus 로고
    • Work in OECD on chemical safety: Approaches for human risk assessment
    • Koeter HB, Visser R. Work in OECD on chemical safety: approaches for human risk assessment. Ind Health 2000; 38: 109-19.
    • (2000) Ind Health , vol.38 , pp. 109-119
    • Koeter, H.B.1    Visser, R.2
  • 91
    • 33644870082 scopus 로고    scopus 로고
    • Metabolism: A bottleneck in in vitro toxicological test development. The report and recommendations of ECVAM Workshop 54
    • Coecke S, Ahr H, Blaauboer BJ. Metabolism: a bottleneck in in vitro toxicological test development. The report and recommendations of ECVAM Workshop 54. Altern Lab Anim 2006; 34: 49-84.
    • (2006) Altern Lab Anim , vol.34 , pp. 49-84
    • Coecke, S.1    Ahr, H.2    Blaauboer, B.J.3
  • 92
    • 77956829814 scopus 로고    scopus 로고
    • The CAESAR project for in silico models for the REACH legislation
    • Benfenati E. The CAESAR project for in silico models for the REACH legislation. Chem Cent J 2010; 4 (Suppl 1): I1.
    • (2010) Chem Cent J , vol.4 , Issue.SUPPL. 1
    • Benfenati, E.1
  • 93
    • 0042500654 scopus 로고
    • Steering committee for, computer science and telecommunications board commission on physical sciences M and applications national research council. Intellectual Property Issues In software. Washington, D. C: National Academy Press
    • Steering committee for intellectual property issues in software computer science and telecommunications board commission on physical sciences M and applications national research council. Intellectual Property Issues In software. Washington, D. C: National Academy Press 1991.
    • (1991) Intellectual Property Issues In software
  • 97
    • 85059997887 scopus 로고    scopus 로고
    • WIPO. of April 14, 1891, as revised at Brussels on December 14, 1900, at Washington on June 2, 1911, at The Hague on November 6, 1925, at London on June 2, 1934, at Nice on June 15, 1957, and at Stockholm on July 14, 1967,1 and as amended on September 28, 1979
    • WIPO. Madrid Agreement Concerning the International Registration of Marks of April 14, 1891, as revised at Brussels on December 14, 1900, at Washington on June 2, 1911, at The Hague on November 6, 1925, at London on June 2, 1934, at Nice on June 15, 1957, and at Stockholm on July 14, 1967,1 and as amended on September 28, 1979. http://www.wipo.int/madrid/en/legal_texts/-trtdocs_wo015.html
    • Madrid Agreement Concerning the International Registration of Marks
  • 99
    • 60349111198 scopus 로고    scopus 로고
    • Supply of software: Copyright and contract Issues
    • Rowland D, Campbell A. Supply of software: copyright and contract Issues. Int J Law Inform Technol 2002; 10: 23-40(18).
    • (2002) Int J Law Inform Technol , vol.10 , Issue.18 , pp. 23-40
    • Rowland, D.1    Campbell, A.2
  • 100
  • 101
    • 85195240268 scopus 로고    scopus 로고
    • IPR-Helpdesk
    • IPR-Helpdesk. Software Copyright Licensing. http://www.iprhelpdesk. org/docs/docs.EN/softwareCopyrightLicensing.html (2007).
    • (2007) Software Copyright Licensing
  • 103
    • 38349088889 scopus 로고    scopus 로고
    • The authority of supreme court precedent
    • Fowler JH, Jeon S. The authority of supreme court precedent. Soc Netw 2008; 30: 16-30.
    • (2008) Soc Netw , vol.30 , pp. 16-30
    • Fowler, J.H.1    Jeon, S.2
  • 105
    • 0242366756 scopus 로고    scopus 로고
    • Max Sanger-father of the modern caesarean section
    • Hem E, Bordahl PE. Max Sanger-father of the modern caesarean section. Gynecol Obstet Invest 2003; 55: 127-9.
    • (2003) Gynecol Obstet Invest , vol.55 , pp. 127-129
    • Hem, E.1    Bordahl, P.E.2
  • 107
    • 56149097042 scopus 로고    scopus 로고
    • Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
    • Cruz-Monteagudo M, Munteanu CR, Borges F, et al. Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case. Polymer 2008; 49: 5575-87.
    • (2008) Polymer , vol.49 , pp. 5575-5587
    • Cruz-Monteagudo, M.1    Munteanu, C.R.2    Borges, F.3
  • 109
    • 23944477893 scopus 로고    scopus 로고
    • Large scale analysis of MASCOT results using a Mass Accuracy-based THreshold (MATH) effectively improves data interpretation
    • Rudnick PA, Wang Y, Evans E, Lee CS, Balgley BM. Large scale analysis of MASCOT results using a Mass Accuracy-based THreshold (MATH) effectively improves data interpretation. J Proteome Res 2005; 4: 1353-60.
    • (2005) J Proteome Res , vol.4 , pp. 1353-1360
    • Rudnick, P.A.1    Wang, Y.2    Evans, E.3    Lee, C.S.4    Balgley, B.M.5
  • 110
    • 33751077285 scopus 로고    scopus 로고
    • MASCOT HTML and XML parser: An implementation of a novel object model for protein identification data
    • Yang CG, Granite SJ, Van Eyk JE, Winslow RL. MASCOT HTML and XML parser: an implementation of a novel object model for protein identification data. Proteomics 2006; 6: 5688-93.
    • (2006) Proteomics , vol.6 , pp. 5688-5693
    • Yang, C.G.1    Granite, S.J.2    van Eyk, J.E.3    Winslow, R.L.4
  • 111
    • 34848925460 scopus 로고    scopus 로고
    • Mascot file parsing and quantification (MFPaQ), a new software to parse, validate, and quantify proteomics data generated by ICAT and SILAC mass spectrometric analyses: Application to the proteomics study of membrane proteins from primary human endothelial cells
    • Bouyssie D, Gonzalez de Peredo A, Mouton E, et al. Mascot file parsing and quantification (MFPaQ), a new software to parse, validate, and quantify proteomics data generated by ICAT and SILAC mass spectrometric analyses: application to the proteomics study of membrane proteins from primary human endothelial cells. Mol Cell Proteomics 2007; 6: 1621-37.
    • (2007) Mol Cell Proteomics , vol.6 , pp. 1621-1637
    • Bouyssie, D.1    Gonzalez de Peredo, A.2    Mouton, E.3
  • 112
    • 33645985492 scopus 로고    scopus 로고
    • Novel strategies for the design of new potent and selective human A3 receptor antagonists: An update
    • Moro S, Deflorian F, Bacilieri M, Spalluto G. Novel strategies for the design of new potent and selective human A3 receptor antagonists: an update. Curr Med Chem 2006; 13: 639-45.
    • (2006) Curr Med Chem , vol.13 , pp. 639-645
    • Moro, S.1    Deflorian, F.2    Bacilieri, M.3    Spalluto, G.4
  • 113
    • 4644315767 scopus 로고    scopus 로고
    • Major alteration of the expression site of endogenous cellulases in members of an apical termite lineage
    • Tokuda G, Lo N, Watanabe H, Arakawa G, Matsumoto T, Noda H. Major alteration of the expression site of endogenous cellulases in members of an apical termite lineage. Mol Ecol 2004; 13: 3219-28.
    • (2004) Mol Ecol , vol.13 , pp. 3219-3228
    • Tokuda, G.1    Lo, N.2    Watanabe, H.3    Arakawa, G.4    Matsumoto, T.5    Noda, H.6
  • 114
    • 0242424960 scopus 로고    scopus 로고
    • Mark of a Criminal Record
    • Devah P. Mark of a Criminal Record. Am J Soc 2003: 937-75.
    • (2003) Am J Soc , pp. 937-975
    • Devah, P.1
  • 115
    • 79953859096 scopus 로고    scopus 로고
    • Criminal law networks, markov chains, Shannon entropy and artificial neural networks
    • In: González-Díaz H, Prado-Prado FJ, García-Mera X, Eds., Kerala, India: Transworld Res Network
    • Duardo-Sanchez A. Criminal law networks, markov chains, Shannon entropy and artificial neural networks. In: González-Díaz H, Prado-Prado FJ, García-Mera X, Eds. Complex Network Entropy: From Molecules to Biology, Parasitology, Technology, Social, Legal, and Neurosciences. Kerala, India: Transworld Res Network 2011; pp. 107-14.
    • (2011) Complex Network Entropy: From Molecules to Biology, Parasitology, Technology, Social, Legal, and Neurosciences , pp. 107-114
    • Duardo-Sanchez, A.1
  • 117
  • 118
  • 119
    • 39049100511 scopus 로고    scopus 로고
    • Unified QSAR and networkbased computational chemistry approach to antimicrobials, Part 1: Multispecies activity models for antifungals
    • González-Díaz H, Prado-Prado F. Unified QSAR and networkbased computational chemistry approach to antimicrobials, Part 1: Multispecies activity models for antifungals. J Comput Chem 2008; 29: 656-7.
    • (2008) J Comput Chem , vol.29 , pp. 656-657
    • González-Díaz, H.1    Prado-Prado, F.2
  • 120
    • 0042229159 scopus 로고    scopus 로고
    • Symmetry considerations in Markovian chemicals 'in silico' design (MARCHINSIDE) I: Central chirality codification, classification of ACE inhibitors and prediction of sigma-receptor antagonist activities
    • González-Díaz H, Sanchez IH, Uriarte E, Santana L. Symmetry considerations in Markovian chemicals 'in silico' design (MARCHINSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of sigma-receptor antagonist activities. Comput Biol Chem 2003; 27: 217-27.
    • (2003) Comput Biol Chem , vol.27 , pp. 217-227
    • González-Díaz, H.1    Sanchez, I.H.2    Uriarte, E.3    Santana, L.4
  • 121
    • 0035353669 scopus 로고    scopus 로고
    • 3D connectivity indices in QSPR/QSAR studies
    • Estrada E, Molina E. 3D connectivity indices in QSPR/QSAR studies. J Chem Inf Comput Sci 2001; 41: 791-7.
    • (2001) J Chem Inf Comput Sci , vol.41 , pp. 791-797
    • Estrada, E.1    Molina, E.2
  • 123
    • 34547364589 scopus 로고    scopus 로고
    • Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems
    • Cruz-Monteagudo M, Gonzalez-Diaz H, Aguero-Chapin G, et al. Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems. J Comput Chem 2007; 28: 1909-23.
    • (2007) J Comput Chem , vol.28 , pp. 1909-1923
    • Cruz-Monteagudo, M.1    Gonzalez-Diaz, H.2    Aguero-Chapin, G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.