A new method of rapid pharmacophore fingerprinting (PharmPrint method) has been
developed. A basis set of 10 549 three-point pharmacophores has been constructed by …

In his philosophic musings “Meditations” the Emperor Marcus Aurelius asks “This thing, what
is it in itself, in its own constitution? What is its substance and material? And what its causal …

Modern drug design increasingly relies on structural information for the improvement of in
vitro potency. Recently, these methods have been used to optimize in vitro properties as …

Pharmacophore modeling and 3D database searching are now recognized as integral
components of lead discovery and lead optimization, and the continuing need for improved …

In order to better understand the common features present in drug molecules, we use shape
description methods to analyze a database of commercially available drugs and prepare a …

(1) Cohen, NC; Blaney, JM; Humblet, C.; Gund, P.; Barry, DC Molecular Modeling Software
and Methods for Medicinal Chemistry. J. Med. Chem. 1990, 33, 883-984.(2)(a) Goodford, PJ …

We introduce PHASE, a highly flexible system for common pharmacophore identification
and assessment, 3D QSAR model development, and 3D database creation and searching …

Several 3D approaches discussed in this volume describe methods for the analysis and
quantitative description of chemical similarity. The underlying concept is that chemical …

Pharmacophores and pharmacophore searches Edited by Thierry Langer and Rémy D.
Hoffmann Pharmacophores and Pharmacophore Searches Pharmacophores and …

Abstract Structure-based drug design uses three-dimensional visualization of drug
candidates bound to a target receptor to direct structural modifications that increase potency …