Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure−Activity Relationships
نویسندگان
چکیده
منابع مشابه
Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure-Activity Relationships
Classification methods allow for the development of structure-activity relationship models when the target property is categorical rather than continuous. We describe a classification method which fits descriptor splines to activities, with descriptors selected using a genetic algorithm. This method, which we identify as SFGA, is compared to the well-established techniques of recursive partitio...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Computer Sciences
سال: 2003
ISSN: 0095-2338
DOI: 10.1021/ci034143r