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GroupBuild: a fragment-based method for de novo drug design

โœ Scribed by SergioH. Rotstein; MarkA. Murcko

Book ID
103638175
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
139 KB
Volume
12
Category
Article
ISSN
0263-7855

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If atom assignment onto 3D molecular graphs is to be optimized, an efficient scheme for placement must be developed. The strategy adopted in this paper is to analyze the molecular graphs in terms of cyclical and non-cyclical nodes; the latter are further divided into terminal and non-terminal nodes.