"DeepGraphMolGen, a multi-objective, computational strategy for generating ..."

Yash Khemchandani et al. (2020)

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DOI: 10.1186/S13321-020-00454-3

access: open

type: Journal Article

metadata version: 2024-05-07

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Yash Khemchandani, Stephen O'Hagan, Soumitra Samanta, Neil Swainston, Timothy J. Roberts, Danushka Bollegala, Douglas B. Kell:
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach. J. Cheminformatics 12(1): 53 (2020)

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