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DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach

Yash Khemchandani, Stephen O’Hagan, Soumitra Samanta, Neil Swainston, Timothy J. Roberts, Danushka Bollegala, Douglas B. Kell
doi: https://doi.org/10.1101/2020.05.25.114165
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Posted June 10, 2020.
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DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach
Yash Khemchandani, Stephen O’Hagan, Soumitra Samanta, Neil Swainston, Timothy J. Roberts, Danushka Bollegala, Douglas B. Kell
bioRxiv 2020.05.25.114165; doi: https://doi.org/10.1101/2020.05.25.114165
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