"Direct steering of de novo molecular generation with descriptor ..."

Panagiotis-Christos Kotsias et al. (2020)

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DOI: 10.1038/S42256-020-0174-5

access: closed

type: Journal Article

metadata version: 2024-02-16

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Panagiotis-Christos Kotsias, Josep Arús-Pous, Hongming Chen, Ola Engkvist, Christian Tyrchan, Esben Jannik Bjerrum:
Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks. Nat. Mach. Intell. 2(5): 254-265 (2020)

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