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- ISSN: 1389-5575
- E-ISSN:
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A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR Application to a Set of 4-Aminopyridine Thrombin Inhibitors
- Source: Mini Reviews in Medicinal Chemistry, Volume 1, Issue 1, May 2001, p. 79 - 87
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- 01 May 2001
Abstract
The method of structure-based pharmacophores for use in 3D-QSAR as implemented by Gillner and Greenidge (6) is further examined. Conformational models are generated using both Catalyst (3) and Macromodel (7). K i estimates obtained with the pharmacophore models are compared with observed values for a set of 4-aminopyridine thrombin inhibitors (8).
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