Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account
Georgios Drakakis1+, Isidro Cortés Ciriano1+, Ben Alexander-Dann1, Andreas Bender1*
1 Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.
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Authors contributed equally to this work
Code to run Basic Protocol 2: Cytotoxicity Modeling
Isidro Cortés Ciriano, PhD: isidrolauscher at gmail.com