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

M Thormann, A Klamt, K Wichmann, C Wittekindt and M Almstetter

from 3rd German Conference on Chemoinformatics
Goslar, Germany. 11-13 November 2007

Chemistry Central Journal 2008, 2(Suppl 1):P15doi:10.1186/1752-153X-2-S1-P15

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