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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| 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 |