Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms
Pereira, Tiago O, Abbasi, Maryam, Arrais, Joel P
Published in Briefings in bioinformatics (22.09.2023)
Published in Briefings in bioinformatics (22.09.2023)
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Journal Article
Artificial intelligence for prediction of biological activities and generation of molecular hits using stereochemical information
Pereira, Tiago O., Abbasi, Maryam, Oliveira, Rita I., Guedes, Romina A., Salvador, Jorge A. R., Arrais, Joel P.
Published in Journal of computer-aided molecular design (01.12.2023)
Published in Journal of computer-aided molecular design (01.12.2023)
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Journal Article
FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers
Monteiro, Nelson R.C., Pereira, Tiago O., Machado, Ana Catarina D., Oliveira, José L., Abbasi, Maryam, Arrais, Joel P.
Published in Computers in biology and medicine (01.09.2023)
Published in Computers in biology and medicine (01.09.2023)
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