Improving QSAR Modeling for Predictive Toxicology using Publicly Aggregated Semantic Graph Data and Graph Neural Networks

Quantitative Structure-Activity Relationship (QSAR) modeling is a common computational technique for predicting chemical toxicity, but a lack of new methodological innovations has impeded QSAR performance on many tasks. We show that contemporary QSAR modeling for predictive toxicology can be substan...

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Detalles Bibliográficos
Autores principales: Romano, Joseph D., Hao, Yun, Moore, Jason H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8714189/
https://www.ncbi.nlm.nih.gov/pubmed/34890148

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8714189/
https://www.ncbi.nlm.nih.gov/pubmed/34890148

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