Prediction and optimization of NaV1.7 inhibitors based on machine learning methods

no code implementations • 29 Nov 2019 • Weikaixin Kong, Xinyu Tu, Zhengwei Xie, Zhuo Huang

We used machine learning methods to predict NaV1. 7 inhibitors and found the model RF-CDK that performed best on the imbalanced dataset.

BIG-bench Machine Learning