Title of article
Expert System Assisted Pharmacophore Identification
Author/Authors
Johnson، A. Peter نويسنده , , McGuire، Attilla Ting, Ross نويسنده , , Green، Stuart نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2000
Pages
-346
From page
347
To page
0
Abstract
An expert system for automatic perception of pharmacophoric groups is presented. Important features include consideration of the protonation state at physiological pH and detection of potential tautomerism. This perception information is used in the generation of pharmacophores using clique detection.
Keywords
Fullerenes , Organic compounds , Chemical synthesis , Infrared spectroscopy , Electronic paramagnetic resonance (EPR)
Journal title
Journal of Chemical Information and Computer Sciences
Serial Year
2000
Journal title
Journal of Chemical Information and Computer Sciences
Record number
40874
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