COSMOsim and COSMOfrag: <it>ab initio</it> computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed

Bibliographic Details
Main Authors: Wittekindt C, Wichmann K, Klamt A, Thormann M, Almstetter M
Format: Article
Language:English
Published: BMC 2008-03-01
Series:Chemistry Central Journal