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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Multi parameter optimization

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2 results in Keywords: Multi parameter optimization

Theoretical and Computational Chemistry

REINVENT 2.0 – an AI Tool for De Novo Drug Design

Thomas Blaschke, Josep Arús-Pous, Hongming Chen, Christian Margreitter, Christian Tyrchan, Ola Engkvist, Kostas Papadopoulos, Atanas Patronov

Version 3 posted 26 August 2020

7,922

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1

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Biological and Medicinal Chemistry

Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design

Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström

Version 2 posted 30 April 2019

3,310

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