Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models

[Image: see text] Chemical language models (CLMs) can be employed to design molecules with desired properties. CLMs generate new chemical structures in the form of textual representations, such as the simplified molecular input line entry system (SMILES) strings. However, the quality of these de nov...

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Detalles Bibliográficos
Autores principales: Moret, Michael, Grisoni, Francesca, Katzberger, Paul, Schneider, Gisbert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8924923/
https://www.ncbi.nlm.nih.gov/pubmed/35191696
http://dx.doi.org/10.1021/acs.jcim.2c00079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8924923/
https://www.ncbi.nlm.nih.gov/pubmed/35191696
http://dx.doi.org/10.1021/acs.jcim.2c00079

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