"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening.

  • 4 October 1999
    • journal article
    • Vol. 38  (19) , 2894-2896
Abstract
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 Ca(2+) 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.

This publication has 0 references indexed in Scilit: