Knowledge-Driven Lead Discovery

Bernard      Pirard

doi:10.2174/138955705774575237

Abstract

Virtual screening encompasses several computational approaches which have proven valuable for identifying novel leads. These approaches rely on available information. Herein, we review recent successful applications of virtual screening. The extension of virtual screening methodologies to target families is also briefly discussed.

Keywords: virtual screening, chemical biology, chemogenomics, lead discovery, similarity searching, pharmacophore, data mining, docking

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Mini-Reviews in Medicinal Chemistry

Title: Knowledge-Driven Lead Discovery

Volume: 5 Issue: 11

Author(s): Bernard Pirard

Affiliation:

Keywords: virtual screening, chemical biology, chemogenomics, lead discovery, similarity searching, pharmacophore, data mining, docking

Abstract: Virtual screening encompasses several computational approaches which have proven valuable for identifying novel leads. These approaches rely on available information. Herein, we review recent successful applications of virtual screening. The extension of virtual screening methodologies to target families is also briefly discussed.