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A Model-Based Ensembling Approach for Developing QSARs

✍ Scribed by Zhang, Qianyi; Hughes-Oliver, Jacqueline M.; Ng, Raymond T.

Book ID
120458670
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
196 KB
Volume
49
Category
Article
ISSN
0095-2338

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## Abstract Quantitative structure–activity relationship (QSAR) is the most versatile tool in computer‐assisted molecular design. One conceptual drawback seen in QSAR approaches is the β€œone chemical–one structure–one parameter value” dogma where the model development is based on physicochemical des