Chemical biology & drug designQuantitative Structure-Activity RelationshipMachine LearningAlgorithmsHumansDrug Discovery
Guided Ensemble Stacking Method for Predicting Biological Activities of Compounds.
Azar Shamloo, Jack Tuszynski, Yun Tam, Chih-Yuan Tseng
Published: 202510.1111/cbdd.70230
Abstract
Machine learning (ML)-driven quantitative structure-activity relationship (QSAR) modeling has gained significant attention for predicting compound biological activity based on compounds' structural, chemical, and physical properties because of the ad…
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