-
1
-
-
42149113456
-
Hepatitis C virus therapy to date
-
Foster, G.; Mathurin, P. Hepatitis C virus therapy to date. Antivir. Ther, 2008, 13(1), 3-8. (Pubitemid 351542492)
-
(2008)
Antiviral Therapy
, vol.13
, Issue.SUPPL. 1
, pp. 3-8
-
-
Foster, G.1
Mathurin, P.2
-
2
-
-
42149130312
-
Future directions in therapy for chronic hepatitis C
-
Jensen, D.M.; Ascione, A. Future directions in therapy for chronic hepatitis C. Antivir. Ther., 2008, 13(1), 31-36. (Pubitemid 351542496)
-
(2008)
Antiviral Therapy
, vol.13
, Issue.SUPPL. 1
, pp. 31-36
-
-
Jensen, D.M.1
Ascione, A.2
-
3
-
-
0037208308
-
Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry
-
Feher, M.; Schmidt, J.M. Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry. J. Chem. Inf. Comput. Sci., 2003, 43(1), 218-227 .
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, Issue.1
, pp. 218-227
-
-
Feher, M.1
Schmidt, J.M.2
-
4
-
-
0042844744
-
Natural products as sources of new drugs over the period 1981-2002
-
DOI 10.1021/np030096l
-
Newman, D.J.; Cragg, G.M.; Snader, K.M.; Natural Products as Sources of New Drugs over the Period 1981-2002. .J. Nat. Prod., 2003, 66, 1022-1037. (Pubitemid 36909859)
-
(2003)
Journal of Natural Products
, vol.66
, Issue.7
, pp. 1022-1037
-
-
Newman, D.J.1
Cragg, G.M.2
Snader, K.M.3
-
5
-
-
34247109045
-
Natural products as sources of new drugs over the last 25 years
-
DOI 10.1021/np068054v
-
Newman, D.J.; Cragg, G.M. Natural Products as Sources of New Drugs over the Last 25 Years. J. Nat. Prod., 2007, 70(3), 461-477. (Pubitemid 46595760)
-
(2007)
Journal of Natural Products
, vol.70
, Issue.3
, pp. 461-477
-
-
Newman, D.J.1
Cragg, G.M.2
-
6
-
-
34249811180
-
New aspects of natural products in drug discovery
-
DOI 10.1016/j.tim.2007.04.001, PII S0966842X07000686
-
Lam, K.S. New aspects of natural products in drug Discovery. Trends Microbiol., 2007, 15, 279-289. (Pubitemid 46856162)
-
(2007)
Trends in Microbiology
, vol.15
, Issue.6
, pp. 279-289
-
-
Lam, K.S.1
-
7
-
-
0001891178
-
Biological activities of sesquiterpene lactones
-
Picman, A.K. Biological Activities of Sesquiterpene Lactones. Biochem. Syst. Ecol., 1986, 14, 255-281
-
(1986)
Biochem. Syst. Ecol.
, vol.14
, pp. 255-281
-
-
Picman, A.K.1
-
8
-
-
33947189698
-
Quantitative structure-activity relationship of sesquiterpene lactones with cytotoxic activity
-
DOI 10.1016/j.bmc.2007.02.005, PII S0968089607001071
-
Scotti, M.T; Fernandes, M.B.; Ferreira, M.J.P.; Emerenciano, V.P.; Quantitative structure-activity relationship of sesquiterpene lactones with cytotoxic activity. Bioorg. Med. Chem., 2007, 15, 2927-2934. (Pubitemid 46400463)
-
(2007)
Bioorganic and Medicinal Chemistry
, vol.15
, Issue.8
, pp. 2927-2934
-
-
Scotti, M.T.1
Fernandes, M.B.2
Ferreira, M.J.P.3
Emerenciano, V.P.4
-
9
-
-
0032696632
-
Toxic activities of sesquiterpene lactones: Structural and biochemical aspects
-
Schmidt, T.J.; Toxic activities of sesquiterpene lactones: Structural and biochemical aspects. Curr. Org. Chem., 1999, 3, 577-608. (Pubitemid 29515503)
-
(1999)
Current Organic Chemistry
, vol.3
, Issue.6
, pp. 577-608
-
-
Schmidt, T.J.1
-
10
-
-
53149109702
-
Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones
-
Fernandes, M.B.; Scotti, M.T.; Ferreira, M.J.P.; Emerenciano, V.P. Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones; Eur. J. Med. Chem., 2008, 43, 2197-2205.
-
(2008)
Eur. J. Med. Chem.
, vol.43
, pp. 2197-2205
-
-
Fernandes, M.B.1
Scotti, M.T.2
Ferreira, M.J.P.3
Emerenciano, V.P.4
-
11
-
-
58149239687
-
Structure-hepatoprotective activity relationship study of sesquiterpene lactones: A QSAR analysis
-
Paukku. Y; Rasulev, B; Syrov, V.; Khushbaktova, Z.; Leszczynski, J. Structure-Hepatoprotective Activity Relationship Study of Sesquiterpene Lactones: A QSAR Analysis. Int. J. Quantum Chem., 2009, 109, 17-27.
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 17-27
-
-
Paukku, Y.1
Rasulev, B.2
Syrov, V.3
Khushbaktova, Z.4
Leszczynski, J.5
-
12
-
-
77955814619
-
A 3D-QSAR study on a series of benzimidazole derivatives acting as hepatitis C virus inhibitors: Application of kNN-molecular field analysis
-
Gupta, S.P.; Samanta, S.; Patil, V.M. A 3D-QSAR Study on a Series of Benzimidazole Derivatives Acting as Hepatitis C Virus Inhibitors: Application of kNN-Molecular Field Analysis. Med. Chem., 2010, 6, 87-90.
-
(2010)
Med. Chem.
, vol.6
, pp. 87-90
-
-
Gupta, S.P.1
Samanta, S.2
Patil, V.M.3
-
13
-
-
77949702731
-
A QSAR study on some series of anti-hepatitis C Virus (HCV) agents
-
Patil, V.M.; Gupta, S.P.; Samanta, S. A QSAR Study on Some Series of Anti-Hepatitis C Virus (HCV) Agents. Lett. Drug Des. Discov., 2010, 7, 139-148.
-
(2010)
Lett. Drug Des. Discov.
, vol.7
, pp. 139-148
-
-
Patil, V.M.1
Gupta, S.P.2
Samanta, S.3
-
17
-
-
0020068152
-
Self-organized formation of topologically correct feature maps
-
DOI 10.1007/BF00337288
-
Kohonen, T.; Self-Organized Formation of Topologically Correct Feature Maps. Biol. Cybern., 1982, 43, 59-69. (Pubitemid 12139984)
-
(1982)
Biological Cybernetics
, vol.43
, Issue.1
, pp. 59-69
-
-
Kohonen, T.1
-
18
-
-
28944436655
-
Structure-based classification of chemical reactions without assignment of reaction centers
-
DOI 10.1021/ci0502707
-
Zhang, Q.Y.; Aires-de-Sousa, J. Structure-based classification of chemical reactions without assignment of reaction centers. J. Chem. Inf. Model., 2005, 45, 1775-1783. (Pubitemid 41784751)
-
(2005)
Journal of Chemical Information and Modeling
, vol.45
, Issue.6
, pp. 1775-1783
-
-
Zhang, Q.-Y.1
Aires-De-Sousa, J.2
-
19
-
-
33846874366
-
Sesquiterpene lactones-based classification of the family asteraceae using neural networks and k-nearest neighbors
-
DOI 10.1021/ci060046x
-
Hristozov, D.; Da Costa, F.B.; Gasteiger, J. Sesquiterpene lactonesbased classification of the family Asteraceae using neural networks and k-nearest neighbors. J. Chem. Inf. Model., 2007, 47, 9-19. (Pubitemid 46225554)
-
(2007)
Journal of Chemical Information and Modeling
, vol.47
, Issue.1
, pp. 9-19
-
-
Hristozov, D.1
Da Costa, F.B.2
Gasteiger, J.3
-
20
-
-
27744591649
-
Synthesis and anti-viral activity of a series of sesquiterpene lactones and analogues in the subgenomic HCV replicon system
-
Hwang, D.R.; Wu, Y.S.; Chang, C.W.; Lien, T.W.; Chen, W.C.; Tan, U.K; et al.; Synthesis and anti-viral activity of a series of sesquiterpene lactones and analogues in the subgenomic HCV replicon system Bioorg Med Chem., 2006, 14, 83-91.
-
(2006)
Bioorg Med Chem.
, vol.14
, pp. 83-91
-
-
Hwang, D.R.1
Wu, Y.S.2
Chang, C.W.3
Lien, T.W.4
Chen, W.C.5
Tan, U.K.6
-
21
-
-
0035722929
-
MONOREG - An expert system for structural elucidation of monoterpenes
-
DOI 10.1139/cjc-79-12-1915
-
Ferreira M.J.P.; Rodrigues, G.V.; Emerenciano, V.P.; MONOREG - an expert system for structural elucidation of monoterpenes. Can. J. Chem., 2001, 79, 1915-1925. (Pubitemid 34194264)
-
(2001)
Canadian Journal of Chemistry
, vol.79
, Issue.12
, pp. 1915-1925
-
-
Ferreira, M.J.P.1
Rodrigues, G.V.2
Emerenciano, V.P.3
-
22
-
-
84868024785
-
-
Hyper Cube Inc. Version 8.0 (Accessed April 23, 2012)
-
Hyperchem, Molecular Modeling System. Hyper Cube Inc. Version 8.0, 2009, http://www.hyper.com (Accessed April 23, 2012).
-
(2009)
Hyperchem Molecular Modeling System
-
-
-
23
-
-
0842341771
-
The development and use of quantum-mechanical molecular-models. 76. AM1 - A new general-purpose quantum-mechanical molecular-model
-
Dewar, M.J.S.; Zoebisch, E.G.; Healy, E.F.; Stewart, J.J.P. The Development And Use Of Quantum-Mechanical Molecular-Models .76. AM1 - A New General-Purpose Quantum-Mechanical Molecular-Model. J. Am. Chem. Soc., 1985, 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
24
-
-
84986469501
-
Comments on a comparison of AM1 with the recently developed PM3 method
-
Dewar, M.J.S.; Healy, E.F.; Holder, A.J.; Yaun, Y.C.J.; Comments on a Comparison of AM1 with the Recently Developed PM3 Method. J. Comput. Chem., 1990, 11, 541-542.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 541-542
-
-
Dewar, M.J.S.1
Healy, E.F.2
Holder, A.J.3
Yaun, Y.C.J.4
-
27
-
-
0036589086
-
Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 1. Theory of the novel 3D molecular descriptors
-
DOI 10.1021/ci015504a
-
Consonni, V.; Todeschini, R.; Pavan M.; Gramatica, P. Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 1. Theory of the novel 3D molecular descriptors. J. Chem. Inf. Comput. Sci., 2002, 42, 682-692. (Pubitemid 35355277)
-
(2002)
Journal of Chemical Information and Computer Sciences
, vol.42
, Issue.3
, pp. 682-692
-
-
Consonni, V.1
Todeschini, R.2
Pavan, M.3
-
28
-
-
0036589142
-
Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 2. Application of the novel 3D molecular descriptors to QSAR/QSPR studies
-
DOI 10.1021/ci0155053
-
Consonni, V.; Todeschini, R; Pavan, M. Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 2. Application of the novel 3D molecular descriptors to QSAR/QSPR studies. J. Chem. Inf. Comput. Sci., 2002, 42, 693-705. (Pubitemid 35355278)
-
(2002)
Journal of Chemical Information and Computer Sciences
, vol.42
, Issue.3
, pp. 693-705
-
-
Consonni, V.1
Todeschini, R.2
Pavan, M.3
Gramatica, P.4
-
30
-
-
52049109838
-
Natural products in drug Discovery
-
Harvey, A.L. Natural products in drug Discovery. Drug. Discov. Today., 2008, 13, 894-901.
-
(2008)
Drug. Discov. Today.
, vol.13
, pp. 894-901
-
-
Harvey, A.L.1
-
31
-
-
0000224701
-
The coding of the three-dimensional structure of molecules by molecular transforms and its application to structure-spectra correlations and studies of biological activity
-
Schuur. J.H.; Selzer, P.; Gasteiger, J. The coding of the threedimensional structure of molecules by molecular transforms and its application to structure-spectra correlations and studies of biological activity J. Chem. Inf. Comput. Sci., 1996, 36, 334-344. (Pubitemid 126591187)
-
(1996)
Journal of Chemical Information and Computer Sciences
, vol.36
, Issue.2
, pp. 334-344
-
-
Schuur, J.H.1
Selzer, P.2
Gasteiger, J.3
-
32
-
-
0030934104
-
3D-modelling and prediction by WHIM descriptors. Part 5. Theory development and chemical meaning of WHIM descriptors
-
Todeschini. R.; Gramatica, P. 3D-modelling and prediction by WHIM descriptors .5. Theory development and chemical meaning of WHIM descriptors. Quant. Struct-act. Rel., 1997, 16, 113-119. (Pubitemid 27182829)
-
(1997)
Quantitative Structure-Activity Relationships
, vol.16
, Issue.2
, pp. 113-119
-
-
Todeschini, R.1
Gramatica, P.2
-
33
-
-
0030890102
-
3D-modelling and prediction by WHIM descriptors. Part 6. Application of WHIM descriptors in QSAR studies
-
Todeschini, R.; Gramatica P., 3D-modelling and prediction by WHIM descriptors .6. Application of WHIM descriptors in QSAR studies. Quant. Struct-act. Rel., .1997, 16, 120-125. (Pubitemid 27182830)
-
(1997)
Quantitative Structure-Activity Relationships
, vol.16
, Issue.2
, pp. 120-125
-
-
Todeschini, R.1
Gramatica, P.2
-
34
-
-
0000405995
-
Chemical information in 3D space
-
Gasteiger, J.; Sadowski, J.; Schuur, J.; Selzer, P.; Steinhauer, L.; Steinhauer, V. Chemical information in 3D space. J. Chem. Inf. Comput. Sci., 1996, 36, 1030-1037. (Pubitemid 126581763)
-
(1996)
Journal of Chemical Information and Computer Sciences
, vol.36
, Issue.5
, pp. 1030-1037
-
-
Gasteiger, J.1
Sadowski, J.2
Schuur, J.3
Selzer, P.4
Steinhauer, L.5
Steinhauer, V.6
-
35
-
-
84868026630
-
-
(Accessed April 23, 2012)
-
Mathworks Inc. 2004, http://www.mathworks.com (Accessed April 23, 2012).
-
(2004)
-
-
-
36
-
-
0006519201
-
-
(Accessed April 23, 2012)
-
Vesanto, J.; Himberg, J.; Alhoniemi, E.; Parhankangas, J. SOM Toolbox for Matlab 5, 2005 http://www.cis.hut.fi/projects/ somtoolbox (Accessed April 23, 2012).
-
(2005)
SOM Toolbox for Matlab 5
-
-
Vesanto, J.1
Himberg, J.2
Alhoniemi, E.3
Parhankangas, J.4
-
40
-
-
85002377847
-
Genetic algorithms as a strategy for feature selection
-
Leardi, R.; Boggia, R.; Terrile, M. Genetic algorithms as a strategy for feature selection. J. Chemometr., 1992, 6, 267-81.
-
(1992)
J. Chemometr.
, vol.6
, pp. 267-281
-
-
Leardi, R.1
Boggia, R.2
Terrile, M.3
-
41
-
-
0037389701
-
Neural networks as data mining tools in drug design
-
Gasteiger, J.; Teckentrup, A.; Terfloth, L.; Spycher, S. Neural networks as data mining tools in drug design. J. Phys. Org. Chem., 2003, 16, 232-245.
-
(2003)
J. Phys. Org. Chem.
, vol.16
, pp. 232-245
-
-
Gasteiger, J.1
Teckentrup, A.2
Terfloth, L.3
Spycher, S.4
|