132 related articles for article (PubMed ID: 20020916)
21. Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules.
Snyder RD; Pearl GS; Mandakas G; Choy WN; Goodsaid F; Rosenblum IY
Environ Mol Mutagen; 2004; 43(3):143-58. PubMed ID: 15065202
[TBL] [Abstract][Full Text] [Related]
22. In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.
Su BH; Shen MY; Esposito EX; Hopfinger AJ; Tseng YJ
J Chem Inf Model; 2010 Jul; 50(7):1304-18. PubMed ID: 20565102
[TBL] [Abstract][Full Text] [Related]
23. Three new consensus QSAR models for the prediction of Ames genotoxicity.
Votano JR; Parham M; Hall LH; Kier LB; Oloff S; Tropsha A; Xie Q; Tong W
Mutagenesis; 2004 Sep; 19(5):365-77. PubMed ID: 15388809
[TBL] [Abstract][Full Text] [Related]
24. Application of validated QSAR models of D1 dopaminergic antagonists for database mining.
Oloff S; Mailman RB; Tropsha A
J Med Chem; 2005 Nov; 48(23):7322-32. PubMed ID: 16279792
[TBL] [Abstract][Full Text] [Related]
25. Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose.
Contrera JF; Matthews EJ; Kruhlak NL; Benz RD
Regul Toxicol Pharmacol; 2004 Dec; 40(3):185-206. PubMed ID: 15546675
[TBL] [Abstract][Full Text] [Related]
26. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
[TBL] [Abstract][Full Text] [Related]
27. Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans: Part B. Use of (Q)SAR systems for early detection of drug-induced hepatobiliary and urinary tract toxicities.
Matthews EJ; Ursem CJ; Kruhlak NL; Benz RD; Sabaté DA; Yang C; Klopman G; Contrera JF
Regul Toxicol Pharmacol; 2009 Jun; 54(1):23-42. PubMed ID: 19422098
[TBL] [Abstract][Full Text] [Related]
28. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.
Pandey G; Saxena AK
J Chem Inf Model; 2006; 46(6):2579-90. PubMed ID: 17125198
[TBL] [Abstract][Full Text] [Related]
29. [Quantitative structure-activity relationship model for prediction of cardiotoxicity of chemical components in traditional Chinese medicines].
Beijing Da Xue Xue Bao Yi Xue Ban; 2017 Jun; 49(3):551-556. PubMed ID: 28628163
[TBL] [Abstract][Full Text] [Related]
30. Comparative analysis of predictive models for nongenotoxic hepatocarcinogenicity using both toxicogenomics and quantitative structure-activity relationships.
Liu Z; Kelly R; Fang H; Ding D; Tong W
Chem Res Toxicol; 2011 Jul; 24(7):1062-70. PubMed ID: 21627106
[TBL] [Abstract][Full Text] [Related]
31. QSAR-based solubility model for drug-like compounds.
Gozalbes R; Pineda-Lucena A
Bioorg Med Chem; 2010 Oct; 18(19):7078-84. PubMed ID: 20810286
[TBL] [Abstract][Full Text] [Related]
32. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
Mohr JA; Jain BJ; Obermayer K
J Chem Inf Model; 2008 Sep; 48(9):1868-81. PubMed ID: 18767832
[TBL] [Abstract][Full Text] [Related]
33. Validation of Toxtree and SciQSAR in silico predictive software using a publicly available benchmark mutagenicity database and their applicability for the qualification of impurities in pharmaceuticals.
Contrera JF
Regul Toxicol Pharmacol; 2013 Nov; 67(2):285-93. PubMed ID: 23969001
[TBL] [Abstract][Full Text] [Related]
34. Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1F.
Wang XS; Tang H; Golbraikh A; Tropsha A
J Chem Inf Model; 2008 May; 48(5):997-1013. PubMed ID: 18470978
[TBL] [Abstract][Full Text] [Related]
35. 2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins.
Prado-Prado F; García-Mera X; Escobar M; Sobarzo-Sánchez E; Yañez M; Riera-Fernandez P; González-Díaz H
Eur J Med Chem; 2011 Dec; 46(12):5838-51. PubMed ID: 22005185
[TBL] [Abstract][Full Text] [Related]
36. Progress in QSAR toxicity screening of pharmaceutical impurities and other FDA regulated products.
Kruhlak NL; Contrera JF; Benz RD; Matthews EJ
Adv Drug Deliv Rev; 2007 Jan; 59(1):43-55. PubMed ID: 17229485
[TBL] [Abstract][Full Text] [Related]
37. QNA-based 'Star Track' QSAR approach.
Filimonov DA; Zakharov AV; Lagunin AA; Poroikov VV
SAR QSAR Environ Res; 2009 Oct; 20(7-8):679-709. PubMed ID: 20024804
[TBL] [Abstract][Full Text] [Related]
38. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.
Iyer M; Tseng YJ; Senese CL; Liu J; Hopfinger AJ
Mol Pharm; 2007; 4(2):218-31. PubMed ID: 17397237
[TBL] [Abstract][Full Text] [Related]
39. A comprehensive model for reproductive and developmental toxicity hazard identification: I. Development of a weight of evidence QSAR database.
Matthews EJ; Kruhlak NL; Daniel Benz R; Contrera JF
Regul Toxicol Pharmacol; 2007 Mar; 47(2):115-35. PubMed ID: 17207562
[TBL] [Abstract][Full Text] [Related]
40. NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum.
González-Díaz H; Prado-Prado F; Sobarzo-Sánchez E; Haddad M; Maurel Chevalley S; Valentin A; Quetin-Leclercq J; Dea-Ayuela MA; Teresa Gomez-Muños M; Munteanu CR; José Torres-Labandeira J; García-Mera X; Tapia RA; Ubeira FM
J Theor Biol; 2011 May; 276(1):229-49. PubMed ID: 21277861
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
