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.
2. New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures. Mason JS, Morize I, Menard PR, Cheney DL, Hulme C, Labaudiniere RF. J Med Chem; 1999 Aug 26; 42(17):3251-64. PubMed ID: 10464012 [Abstract] [Full Text] [Related]
10. Importance of molecular computer modeling in anticancer drug development. Geromichalos GD. J BUON; 2007 Sep 26; 12 Suppl 1():S101-18. PubMed ID: 17935268 [Abstract] [Full Text] [Related]
11. SeleX-CS: a new consensus scoring algorithm for hit discovery and lead optimization. Bar-Haim S, Aharon A, Ben-Moshe T, Marantz Y, Senderowitz H. J Chem Inf Model; 2009 Mar 26; 49(3):623-33. PubMed ID: 19231809 [Abstract] [Full Text] [Related]
12. Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery. Therrien E, Englebienne P, Arrowsmith AG, Mendoza-Sanchez R, Corbeil CR, Weill N, Campagna-Slater V, Moitessier N. J Chem Inf Model; 2012 Jan 23; 52(1):210-24. PubMed ID: 22133077 [Abstract] [Full Text] [Related]
15. Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization. Hartenfeller M, Proschak E, Schüller A, Schneider G. Chem Biol Drug Des; 2008 Jul 23; 72(1):16-26. PubMed ID: 18564216 [Abstract] [Full Text] [Related]
16. A general method for exploiting QSAR models in lead optimization. Lewis RA. J Med Chem; 2005 Mar 10; 48(5):1638-48. PubMed ID: 15743205 [Abstract] [Full Text] [Related]
17. Structure-based approaches to drug design and virtual screening. Waszkowycz B. Curr Opin Drug Discov Devel; 2002 May 10; 5(3):407-13. PubMed ID: 12058616 [Abstract] [Full Text] [Related]
19. A cluster-based strategy for assessing the overlap between large chemical libraries and its application to a recent acquisition. Engels MF, Gibbs AC, Jaeger EP, Verbinnen D, Lobanov VS, Agrafiotis DK. J Chem Inf Model; 2006 May 10; 46(6):2651-60. PubMed ID: 17125205 [Abstract] [Full Text] [Related]