BARTReact: SELFIES-driven precision in reaction modeling

Author:

Farfán DanielORCID,Gómez-Márquez Carolina,Sandoval-Nuñez Dania,Paredes OmarORCID,Morales J. AlejandroORCID

Funder

Consejo Nacional de Humanidades, Ciencias y Tecnologías

Publisher

Elsevier BV

Reference26 articles.

1. Randomized SMILES strings improve the quality of molecular generative models;Arús-Pous;J. Cheminform.,2019

2. Rhea, the reaction knowledgebase in 2022;Bansal;Nucleic. Acids. Res.,2022

3. GenSMILES: An enhanced validity conscious representation for inverse design of molecules;Bhadwal;Knowl. Based. Syst.,2023

4. Back to the future: Why we need enzymology to build a synthetic metabolism of the future;Erb;Beilstein. J. Org. Chem.,2019

5. Domain-Agnostic Molecular Generation with Self-feedback;Fang;ArXiv, abs/2301.11259,2023

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