Chemical space navigation in lead discovery Export

@article{citeulike:4056822, abstract = {The number of new chemical entities has remained rather constant (averaging 37 per year) in the past decade, despite the multiple-fold increase in the number of compounds that are being made and tested. Chemical space requires novel methods that can handle the increasing number of potentially accessible molecules. Neighborhood behavior, as an approach to similarity, and chemical property space navigation are some of the recent advances that are discussed, in the context of lead discovery and appropriate pharmacokinetic properties.}, author = {Oprea, T.}, citeulike-article-id = {4056822}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/S1367-5931(02)00329-0}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S1367-5931(02)00329-0}, day = {1}, doi = {10.1016/S1367-5931(02)00329-0}, issn = {13675931}, journal = {Current Opinion in Chemical Biology}, keywords = {cheminformatics, clustering}, month = {June}, number = {3}, pages = {384--389}, posted-at = {2009-02-15 19:27:17}, priority = {2}, title = {Chemical space navigation in lead discovery}, url = {http://dx.doi.org/10.1016/S1367-5931(02)00329-0}, volume = {6}, year = {2002} }

TY - JOUR ID - citeulike:4056822 L3 - citeulike-article-id:4056822 N2 - The number of new chemical entities has remained rather constant (averaging 37 per year) in the past decade, despite the multiple-fold increase in the number of compounds that are being made and tested. Chemical space requires novel methods that can handle the increasing number of potentially accessible molecules. Neighborhood behavior, as an approach to similarity, and chemical property space navigation are some of the recent advances that are discussed, in the context of lead discovery and appropriate pharmacokinetic properties. IS - 3 JF - Current Opinion in Chemical Biology SN - 13675931 EP - 389 TI - Chemical space navigation in lead discovery VL - 6 SP - 384 KW - cheminformatics KW - clustering AU - Oprea, T PY - 2002/06/01/ UR - http://dx.doi.org/10.1016/S1367-5931(02)00329-0 ER -