Feature Point Pharmacophores FEPOPS

In a growing number of studies, correlation-vector representations of pharmaco-phoric features of molecules have been proven to be useful in similarity searching and de novo design projects. They allow for rapid database screening, which 

This work was supported by the Fonds der Chemischen Industrie and the Beil-stein-Institut zur Forderung der Chemischen Wissenschaften. S.R. and U.F. are grateful for fellowships from Merz Pharmaceuticals and Aventis Pharma Deutschland, respectively. 

ADMET absorption, distribution, metabolism, excretion, toxicity 

Wermuth, C. R. Gannelin, P. lind-berg, L.A. Mitscher, Pure Appl. Chem. 1998, 70, 1129. 

Picket, in Protein-Ligand Interactions -From Molecular Recognition to Drug Design (Eds H.-J. Bohm, G. Schneider), Wi-ley-VCH, Weinheim, 2003, pp. 73-106. 

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