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Abstracts
of Key Research Articles
Advanced biological and chemical discovery (ABCD): centralizing discovery knowledge in an inherently decentralized world
Agrafiotis DK, Alex S, Dai H, Derkinderen A, Farnum M, Gates P, Izrailev S, Jaeger EP, Konstant P, Leung A, Lobanov VS, Marichal P, Martin D, Rassokhin DN, Shemanarev M, Skalkin A, Stong J, Tabruyn T, Vermeiren M, Wan J, Xu XY, Yao X
J Chem Inf Model. 2007; in press (doi: 10.1021/ci700267w)
ChemBank: a small molecule screening and cheminformatics resource database
Seiler KP, George GA, Happ MP, Bodycombe NE, Carrinski HA, Norton S, Brudz S, Sullivan JP, Muhlich J, Serrano M, Ferraiolo P, Tolliday NJ, Schreiber SL, Clemons PA.
Nucl Acid Res. 2007; in press (doi: 10.1093/nar/gkm843)
A cheminformatic toolkit for mining biomedical knowledge
Rosania GR, Crippen G, Woolf P, States D,
Shedden K
Pharm Res. 2007; 24: 1791-1802
Large compound databases for structure-activity relationships studies in drug discovery
Scior T, Bernard P, Medina-Franco JL, Maggiora GM
Mini Rev Med Chem. 2007; 7: 851-860
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
Eckert H, Bajorath J
Drug Discov Today 2007; 12: 225-233
Molecular conceptor for training in medicinal chemistry, drug design, and chemoinformatics
Cohen C, Fischel O, Cohen E
Chem Biol Drug Des. 2007; 69: 75-82
Chemoinformatics: past, present, and future
Chen WL
J Chem Inf Model. 2006; 46: 2230-2255
Virtual screening: are we there yet?
Jalaie M, Shanmugasundaram V
Mini Rev Med Chem. 2006; 6: 1159-1167
Challenges for chemoinformatics education in drug discovery
Wild DJ, Wiggins GD
Drug Discov Today 2006; 11: 436-439
DrugBank: a comprehensive resource for in silico drug discovery and exploration
Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J
Nucl Acid Res. 2006; 34: D668-D672
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