An ensemble machine learning model generates a focused screening library for the identification of CDK8 inhibitors
Tony Eight Lin,
Dyan Yen,
Wei‐Chun HuangFu
et al.
Abstract:The identification of an effective inhibitor is an important starting step in drug development. Unfortunately, many issues such as the characterization of protein binding sites, the screening library, materials for assays, etc., make drug screening a difficult proposition. As the size of screening libraries increases, more resources will be inefficiently consumed. Thus, new strategies are needed to preprocess and focus a screening library towards a targeted protein. Herein, we report an ensemble machine learni… Show more
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