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Khemchandani, Yash, O’Hagan, Stephen, Samanta, Soumitra, Swainston, Neil, Roberts, Timothy, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963
(2020)
DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.
Khemchandani, Yash, O'Hagan, Steve ORCID: 0000-0001-6235-5462, Samanta, Soumitra ORCID: 0000-0003-2200-3061, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy ORCID: 0000-0002-1464-0151, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963
(2020)
DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.
J. Cheminformatics, 12.
p. 53.
Khemchandani, Yash, O'Hagan, Stephen, Samanta, Soumitra, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy J, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas B ORCID: 0000-0001-5838-7963
(2020)
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.
Journal of Cheminformatics, 12 (1).
53-.
Khemchandani, Yash ORCID: 0000-0001-5645-3509, O'Hagan, Steve ORCID: 0000-0001-6235-5462, Samanta, Soumitra ORCID: 0000-0003-2200-3061, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy ORCID: 0000-0002-1464-0151, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963
(2020)
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.