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Generative Models as an Emerging Paradigm in the Chemical Sciences

[Image: see text] Traditional computational approaches to design chemical species are limited by the need to compute properties for a vast number of candidates, e.g., by discriminative modeling. Therefore, inverse design methods aim to start from the desired property and optimize a corresponding che...

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Detalles Bibliográficos
Autores principales: Anstine, Dylan M., Isayev, Olexandr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10141264/
https://www.ncbi.nlm.nih.gov/pubmed/37052978
http://dx.doi.org/10.1021/jacs.2c13467