Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

In the process of drug discovery, the optimization of lead compounds has always been a challenge faced by pharmaceutical chemists. Matched molecular pair analysis (MMPA), a promising tool to efficiently extract and summarize the relationship between structural transformation and property change, is...

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Detalles Bibliográficos
Autores principales: Yang, Zi-Yi, Fu, Li, Lu, Ai-Ping, Liu, Shao, Hou, Ting-Jun, Cao, Dong-Sheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8590336/
https://www.ncbi.nlm.nih.gov/pubmed/34774096
http://dx.doi.org/10.1186/s13321-021-00564-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8590336/
https://www.ncbi.nlm.nih.gov/pubmed/34774096
http://dx.doi.org/10.1186/s13321-021-00564-6

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