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1.
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards.
J Chem Inf Model
; 61(12): 5815-5826, 2021 12 27.
Article
in English
| MEDLINE | ID: mdl-34866384
2.
Streamlining pipeline efficiency: a novel model-agnostic technique for accelerating conditional generative and virtual screening pipelines.
Sci Rep
; 13(1): 21069, 2023 11 29.
Article
in English
| MEDLINE | ID: mdl-38030689
3.
Modern machine learning for tackling inverse problems in chemistry: molecular design to realization.
Chem Commun (Camb)
; 58(35): 5316-5331, 2022 Apr 28.
Article
in English
| MEDLINE | ID: mdl-35416193
4.
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization.
Front Med (Lausanne)
; 9: 916481, 2022.
Article
in English
| MEDLINE | ID: mdl-36213671
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