IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method
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DOI: 10.1021/acs.jcim.2c00297
Abstract: The prediction and optimization of pharmacokinetic properties are essential in lead optimization. Traditional strategies mainly depend on the empirical chemical rules from medicinal chemists. However, with the rising amount of data, it is getting more… read more here.
Keywords: prediction optimization; idl ppbopt; deep learning; interpretable deep ... See more keywords