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ORCID"DrugEx v2: de novo design of drug molecules by Pareto-based ..."
Xuhan Liu et al. (2021)
- Xuhan Liu
, Kai Ye, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen:
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. J. Cheminformatics 13(1): 85 (2021)
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