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October 4, 1999Angewandte Chemie International Edition692 citations

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

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GSGisbert SchneiderWNWerner NeidhartTGThomas Giller

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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.

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Schneider et al. (1999) studied this question.

synapsesocial.com/papers/69d936fb8988aeabbe68476chttps://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-f
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