Development of an interpretable QSPR model to predict the octanol-water partition coefficient based on three artificial intelligence algorithms
This study aims to significantly improve existing quantitative structure-property relationship (QSPR) models for predicting the octanol-water partition coefficient (KOW). This is because accurate predictions of KOW are crucial for assessing the environmental behavior and bioaccumulation potential of...
| Auteurs principaux: | , , , , , |
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| Format: | Article |
| Langue: | English |
| Publié: |
KeAi Communications Co. Ltd.
2025-06-01
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| Collection: | Green Chemical Engineering |
| Sujets: | |
| Accès en ligne: | http://www.sciencedirect.com/science/article/pii/S2666952824000542 |