Adaptive language model training for molecular design

The vast size of chemical space necessitates computational approaches to automate and accelerate the design of molecular sequences to guide experimental efforts for drug discovery. Genetic algorithms provide a useful framework to incrementally generate molecules by applying mutations to known chemic...

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Detalles Bibliográficos
Autores principales: Blanchard, Andrew E., Bhowmik, Debsindhu, Fox, Zachary, Gounley, John, Glaser, Jens, Akpa, Belinda S., Irle, Stephan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249556/
https://www.ncbi.nlm.nih.gov/pubmed/37291633
http://dx.doi.org/10.1186/s13321-023-00719-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249556/
https://www.ncbi.nlm.nih.gov/pubmed/37291633
http://dx.doi.org/10.1186/s13321-023-00719-7

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