These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
389 related articles for article (PubMed ID: 12825940)
1. Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates. Shen M; Xiao Y; Golbraikh A; Gombar VK; Tropsha A J Med Chem; 2003 Jul; 46(14):3013-20. PubMed ID: 12825940 [TBL] [Abstract][Full Text] [Related]
2. Combinatorial QSAR modeling of P-glycoprotein substrates. de Cerqueira Lima P; Golbraikh A; Oloff S; Xiao Y; Tropsha A J Chem Inf Model; 2006; 46(3):1245-54. PubMed ID: 16711744 [TBL] [Abstract][Full Text] [Related]
3. 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]
4. Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation. Tang H; Wang XS; Huang XP; Roth BL; Butler KV; Kozikowski AP; Jung M; Tropsha A J Chem Inf Model; 2009 Feb; 49(2):461-76. PubMed ID: 19182860 [TBL] [Abstract][Full Text] [Related]
5. kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications. Itskowitz P; Tropsha A J Chem Inf Model; 2005; 45(3):777-85. PubMed ID: 15921467 [TBL] [Abstract][Full Text] [Related]
6. Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst HypoGen and k-nearest neighbor QSAR methods. Xiao Z; Varma S; Xiao YD; Tropsha A J Mol Graph Model; 2004 Oct; 23(2):129-38. PubMed ID: 15363455 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds. Shen M; Béguin C; Golbraikh A; Stables JP; Kohn H; Tropsha A J Med Chem; 2004 Apr; 47(9):2356-64. PubMed ID: 15084134 [TBL] [Abstract][Full Text] [Related]
9. In silico ADME modelling: prediction models for blood-brain barrier permeation using a systematic variable selection method. Narayanan R; Gunturi SB Bioorg Med Chem; 2005 Apr; 13(8):3017-28. PubMed ID: 15781411 [TBL] [Abstract][Full Text] [Related]
10. QSAR modeling using chirality descriptors derived from molecular topology. Golbraikh A; Tropsha A J Chem Inf Comput Sci; 2003; 43(1):144-54. PubMed ID: 12546547 [TBL] [Abstract][Full Text] [Related]
11. In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems. Gunturi SB; Narayanan R; Khandelwal A Bioorg Med Chem; 2006 Jun; 14(12):4118-29. PubMed ID: 16504519 [TBL] [Abstract][Full Text] [Related]
12. First-principle, structure-based prediction of hepatic metabolic clearance values in human. Li H; Sun J; Sui X; Liu J; Yan Z; Liu X; Sun Y; He Z Eur J Med Chem; 2009 Apr; 44(4):1600-6. PubMed ID: 18768239 [TBL] [Abstract][Full Text] [Related]
13. Prediction of drug intestinal absorption by new linear and non-linear QSPR. Talevi A; Goodarzi M; Ortiz EV; Duchowicz PR; Bellera CL; Pesce G; Castro EA; Bruno-Blanch LE Eur J Med Chem; 2011 Jan; 46(1):218-28. PubMed ID: 21112128 [TBL] [Abstract][Full Text] [Related]
14. ADME evaluation in drug discovery. 8. The prediction of human intestinal absorption by a support vector machine. Hou T; Wang J; Li Y J Chem Inf Model; 2007; 47(6):2408-15. PubMed ID: 17929911 [TBL] [Abstract][Full Text] [Related]
15. Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships. Cheng A; Merz KM J Med Chem; 2003 Aug; 46(17):3572-80. PubMed ID: 12904062 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. Hologram QSAR model for the prediction of human oral bioavailability. Moda TL; Montanari CA; Andricopulo AD Bioorg Med Chem; 2007 Dec; 15(24):7738-45. PubMed ID: 17870541 [TBL] [Abstract][Full Text] [Related]
18. Predicting human liver microsomal stability with machine learning techniques. Sakiyama Y; Yuki H; Moriya T; Hattori K; Suzuki M; Shimada K; Honma T J Mol Graph Model; 2008 Feb; 26(6):907-15. PubMed ID: 17683964 [TBL] [Abstract][Full Text] [Related]
19. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities. Ponce YM; Diaz HG; Zaldivar VR; Torrens F; Castro EA Bioorg Med Chem; 2004 Oct; 12(20):5331-42. PubMed ID: 15388160 [TBL] [Abstract][Full Text] [Related]
20. A fully computational model for predicting percutaneous drug absorption. Neumann D; Kohlbacher O; Merkwirth C; Lengauer T J Chem Inf Model; 2006; 46(1):424-9. PubMed ID: 16426076 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]