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.
61 related articles for article (PubMed ID: 9888833)
21. Approaches to target class combinatorial library design. Schnur D; Beno BR; Good A; Tebben A Methods Mol Biol; 2004; 275():355-78. PubMed ID: 15141121 [TBL] [Abstract][Full Text] [Related]
22. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors. Mizutani MY; Itai A J Med Chem; 2004 Sep; 47(20):4818-28. PubMed ID: 15369385 [TBL] [Abstract][Full Text] [Related]
23. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital. Day GM; S Motherwell WD; Jones W Phys Chem Chem Phys; 2007 Apr; 9(14):1693-704. PubMed ID: 17396181 [TBL] [Abstract][Full Text] [Related]
33. Measuring diversity: experimental design of combinatorial libraries for drug discovery. Martin EJ; Blaney JM; Siani MA; Spellmeyer DC; Wong AK; Moos WH J Med Chem; 1995 Apr; 38(9):1431-6. PubMed ID: 7739001 [TBL] [Abstract][Full Text] [Related]
34. Applications of genetic algorithms in molecular diversity. Weber L Curr Opin Chem Biol; 1998 Jun; 2(3):381-5. PubMed ID: 9691070 [TBL] [Abstract][Full Text] [Related]
35. Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. Cleves AE; Johnson SR; Jain AN J Comput Aided Mol Des; 2019 Oct; 33(10):865-886. PubMed ID: 31650386 [TBL] [Abstract][Full Text] [Related]
36. Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose. Cleves AE; Jain AN J Comput Aided Mol Des; 2018 Jul; 32(7):731-757. PubMed ID: 29934750 [TBL] [Abstract][Full Text] [Related]
37. Prediction of off-target drug effects through data fusion. Yera ER; Cleves AE; Jain AN Pac Symp Biocomput; 2014; 19():160-71. PubMed ID: 24297543 [TBL] [Abstract][Full Text] [Related]
38. Does your model weigh the same as a duck? Jain AN; Cleves AE J Comput Aided Mol Des; 2012 Jan; 26(1):57-67. PubMed ID: 22187141 [TBL] [Abstract][Full Text] [Related]
39. Molecular similarity and diversity in chemoinformatics: from theory to applications. Maldonado AG; Doucet JP; Petitjean M; Fan BT Mol Divers; 2006 Feb; 10(1):39-79. PubMed ID: 16404528 [TBL] [Abstract][Full Text] [Related]
40. The centroidal algorithm in molecular similarity and diversity calculations on confidential datasets. Trepalin S; Osadchiy N J Comput Aided Mol Des; 2005; 19(9-10):715-29. PubMed ID: 16331405 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]