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Comparison of Descriptor- and Fingerprint Sets in Machine Learning Models for ADME-Tox Targets
The screening of compounds for ADME-Tox targets plays an important role in drug design. QSPR models can increase the speed of these specific tasks, although the performance of the models highly depends on several factors, such as the applied molecular descriptors. In this study, a detailed compariso...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9214226/ https://www.ncbi.nlm.nih.gov/pubmed/35755260 http://dx.doi.org/10.3389/fchem.2022.852893 |