Detalhe da pesquisa
1.
Molecular Design Method Using a Reversible Tree Representation of Chemical Compounds and Deep Reinforcement Learning.
J Chem Inf Model
; 62(17): 4032-4048, 2022 09 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35960209
2.
Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements.
Nat Commun
; 13(1): 2991, 2022 05 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35637178