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A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network
[Image: see text] The prediction and evaluation of the biodegradability of molecules with computational methods are becoming increasingly important. Among the various methods, quantitative structure–activity relationship (QSAR) models have been demonstrated to predict the ready biodegradation of che...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811760/ https://www.ncbi.nlm.nih.gov/pubmed/35128273 http://dx.doi.org/10.1021/acsomega.1c06274 |