Combatting over-specialization bias in growing chemical databases

BACKGROUND: Predicting in advance the behavior of new chemical compounds can support the design process of new products by directing the research toward the most promising candidates and ruling out others. Such predictive models can be data-driven using Machine Learning or based on researchers’ expe...

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Detalles Bibliográficos
Autores principales: Dost, Katharina, Pullar-Strecker, Zac, Brydon, Liam, Zhang, Kunyang, Hafner, Jasmin, Riddle, Patricia J., Wicker, Jörg S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10197453/
https://www.ncbi.nlm.nih.gov/pubmed/37208694
http://dx.doi.org/10.1186/s13321-023-00716-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10197453/
https://www.ncbi.nlm.nih.gov/pubmed/37208694
http://dx.doi.org/10.1186/s13321-023-00716-w

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