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DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning
Established molecular machine learning models process individual molecules as inputs to predict their biological, chemical, or physical properties. However, such algorithms require large datasets and have not been optimized to predict property differences between molecules, limiting their ability to...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10605784/ https://www.ncbi.nlm.nih.gov/pubmed/37885017 http://dx.doi.org/10.1186/s13321-023-00769-x |