Improving VAE based molecular representations for compound property prediction

Collecting labeled data for many important tasks in chemoinformatics is time consuming and requires expensive experiments. In recent years, machine learning has been used to learn rich representations of molecules using large scale unlabeled molecular datasets and transfer the knowledge to solve the...

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Detalles Bibliográficos
Autores principales: Tevosyan, Ani, Khondkaryan, Lusine, Khachatrian, Hrant, Tadevosyan, Gohar, Apresyan, Lilit, Babayan, Nelly, Stopper, Helga, Navoyan, Zaven
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9569108/
https://www.ncbi.nlm.nih.gov/pubmed/36242073
http://dx.doi.org/10.1186/s13321-022-00648-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9569108/
https://www.ncbi.nlm.nih.gov/pubmed/36242073
http://dx.doi.org/10.1186/s13321-022-00648-x

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