Adaptive language model training for molecular design

Adaptive language model training for molecular design

Abstract 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 kno...

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Bibliographic Details
Main Authors: Andrew E. Blanchard, Debsindhu Bhowmik, Zachary Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle
Format: Article
Language:English
Published: BMC 2023-06-01
Series:Journal of Cheminformatics
Subjects:
Masked language model
Drug discovery
Genetic algorithm
Online Access:https://doi.org/10.1186/s13321-023-00719-7

Internet

https://doi.org/10.1186/s13321-023-00719-7

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