This article is part of the supplement: 3rd German Conference on Chemoinformatics: 21. CIC-Workshop
COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
1 Martinsried, Germany
2 COSMOlogic GmbH & Co KG, Burscheider Str. 515, 51381 Leverkusen, Germany
Chemistry Central Journal 2008, 2(Suppl 1):P15 doi:10.1186/1752-153X-2-S1-P15Published: 26 March 2008
First paragraph (this article has no abstract)
Theory, validation, and applications of a novel approach for the quantification of drug similarity – COSMOsim - are described.