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Theoretical and Computational Chemistry

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Daiki Erikawa

2 results in Authors: Daiki Erikawa

Theoretical and Computational Chemistry

MERMAID: An Open Source Automated Hit-to-Lead Method Based on Deep Reinforcement Learning

Daiki Erikawa, Nobuaki Yasuo, Masakazu Sekijima

Version 1 posted 20 April 2021

534

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Theoretical and Computational Chemistry

Gargoyles: An Open Source Graph-based molecular optimization method based on Deep Reinforcement Learning

Daiki Erikawa, Nobuaki Yasuo, Masakazu Sekijima

Version 1 posted 02 February 2023

321

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