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Increasing the efficiency of small-molecule drug discovery.

Published on Sep 1, 2003in Drug Discovery Today6.88
· DOI :10.1016/S1359-6446(03)02747-8
Barry A. Bunin13
Estimated H-index: 13
Abstract
  • References (15)
  • Citations (9)
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A chemically advanced template search (CATS) based on topological pharmacophore models has been developed as a technique for virtual screening. This technique has successfully identified novel potent Ca2+ antagonists (such as 2) that have a similar activity to 1 (a known T-channel blocking agent) in a library of several hundred thousand compounds on the basis of a correlation vector representation.
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