JPlogP: an improved logP predictor trained using predicted data
Abstract The partition coefficient between octanol and water (logP) has been an important descriptor in QSAR predictions for many years and therefore the prediction of logP has been examined countless times. One of the best performing models is to predict the logP using multiple methods and average...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
BMC
2018-12-01
|
| Series: | Journal of Cheminformatics |
| Online Access: | http://link.springer.com/article/10.1186/s13321-018-0316-5 |