Symbolic regression for the interpretation of quantitative structure-property relationships

The interpretation of quantitative structure–activity or structure–property relationships is important in the field of chemoinformatics. Although multivariate linear regression models are typically interpretable, they do not generally have high predictive abilities. Symbolic regression (SR) combined...

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Bibliographic Details
Main Authors: Katsushi Takaki, Tomoyuki Miyao
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Artificial Intelligence in the Life Sciences
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667318522000162