https://www.selleckchem.com/pr....oducts/Aloxistatin.h
In recent years, protein-ligand interaction scoring functions derived through machine-learning are repeatedly reported to outperform conventional scoring functions. However, several published studies have questioned that the superior performance of machine-learning scoring functions is dependent on the overlap between the training set and the test set. In order to examine the true power of machine-learning algorithms in scoring function formulation, we have conducted a systematic study of six off-the-shelf machine-learning algorithm
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