https://publications-cnrc.canada.ca/fra/voir/objet/?id=76aabdda-5642-4f11-bb4e-74a65d1aa464
Rechercher Shi, Chence; Rechercher Xu, Minkai; Rechercher Guo, Hongyu; Rechercher Zhang, Ming; Rechercher Tang, Jian
Proceedings of the 37th International Conference on Machine Learning, PMLR, mars 2020
A fundamental problem in computational chemistry is to find a set of reactants to synthesize a target molecule, a.k.a. retrosynthesis prediction. Existing...
Article de périodique (revue)
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