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.
7. The ChEMBL database: a taster for medicinal chemists. Papadatos G; Overington JP Future Med Chem; 2014 Mar; 6(4):361-4. PubMed ID: 24635517 [No Abstract] [Full Text] [Related]
8. Current parallel chemistry principles and practice: application to the discovery of biologically active molecules. Edwards PJ Curr Opin Drug Discov Devel; 2009 Nov; 12(6):899-914. PubMed ID: 19894197 [TBL] [Abstract][Full Text] [Related]
9. A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases. Ghose AK; Viswanadhan VN; Wendoloski JJ J Comb Chem; 1999 Jan; 1(1):55-68. PubMed ID: 10746014 [TBL] [Abstract][Full Text] [Related]
10. Assessment of chemical libraries for their druggability. Sirois S; Hatzakis G; Wei D; Du Q; Chou KC Comput Biol Chem; 2005 Feb; 29(1):55-67. PubMed ID: 15680586 [TBL] [Abstract][Full Text] [Related]
12. Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces. Le Guilloux V; Colliandre L; Bourg S; Guénegou G; Dubois-Chevalier J; Morin-Allory L J Chem Inf Model; 2011 Aug; 51(8):1762-74. PubMed ID: 21761916 [TBL] [Abstract][Full Text] [Related]
13. Structure-activity relations: maximizing the usefulness of mutagenicity and carcinogenicity databases. Klopman G; Rosenkranz H Environ Health Perspect; 1991 Dec; 96():67-75. PubMed ID: 1820281 [TBL] [Abstract][Full Text] [Related]
15. Navigator: tools for informal structure-activity relationship discovery. Chapman D; Harris N; Park J; Critchlow RE J Mol Graph; 1995 Aug; 13(4):242-9. PubMed ID: 8527416 [TBL] [Abstract][Full Text] [Related]
16. Chemical substructures in drug discovery. Merlot C; Domine D; Cleva C; Church DJ Drug Discov Today; 2003 Jul; 8(13):594-602. PubMed ID: 12850335 [TBL] [Abstract][Full Text] [Related]
17. Machine learning for virtual screening (part 1). Ivanciuc O Comb Chem High Throughput Screen; 2009 May; 12(4):330-1. PubMed ID: 19442062 [No Abstract] [Full Text] [Related]
18. Knowledge-based design of target-focused libraries using protein-ligand interaction constraints. Deng Z; Chuaqui C; Singh J J Med Chem; 2006 Jan; 49(2):490-500. PubMed ID: 16420036 [TBL] [Abstract][Full Text] [Related]
19. Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates. Jónsdóttir SO; Jørgensen FS; Brunak S Bioinformatics; 2005 May; 21(10):2145-60. PubMed ID: 15713739 [TBL] [Abstract][Full Text] [Related]
20. Drug discovery in the kinase inhibitory field using the Nested Chemical Library technology. Kéri G; Székelyhidi Z; Bánhegyi P; Varga Z; Hegymegi-Barakonyi B; Szántai-Kis C; Hafenbradl D; Klebl B; Muller G; Ullrich A; Erös D; Horváth Z; Greff Z; Marosfalvi J; Pató J; Szabadkai I; Szilágyi I; Szegedi Z; Varga I; Wáczek F; Orfi L Assay Drug Dev Technol; 2005 Oct; 3(5):543-51. PubMed ID: 16305311 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]