Machine learning in prediction of intrinsic aqueous solubility of drug-like compounds: Generalization, complexity, or predictive ability?

Machine learning in prediction of intrinsic aqueous solubility of drug-like compounds: Generalization, complexity, or predictive ability?

10.1002/cem.3349

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Bibliographic Details
Main Authors: Lovri?, M., Pavlovi?, K., Žuvela, P., Spataru, Adrian, Lu?i?, B., Kern, Roman, Wong, Ming Wah
Other Authors: CHEMISTRY
Format: Article
Published: John Wiley and Sons Ltd 2022
Subjects:
consensus modeling
LASSO
LightGBM
PCA
permutation importance
QSAR
random forests
Online Access:https://scholarbank.nus.edu.sg/handle/10635/232224
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Institution: National University of Singapore
Description
Summary:10.1002/cem.3349

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