Beware of Machine Learning-Based Scoring Functions - On the Danger of Developing Black Boxes

Joffrey Gabel, Jérémy Desaphy, Didier Rognan. Beware of Machine Learning-Based Scoring Functions - On the Danger of Developing Black Boxes. Journal of Chemical Information and Computer Sciences, 54(10):2807-2815, 2014. [doi]

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