title: "Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening.
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.
authors.affiliation: F. Hoffmann-La Roche Ltd, Pharmaceuticals Division, CH-4070 Basel (Switzerland).
authors.initials: G
authors.lastname: Schneider
authors.initials: W
authors.lastname: Neidhart
authors.initials: T
authors.lastname: Giller
authors.initials: G
authors.lastname: Schmid