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

29 Nov 2019Weikaixin KongXinyu TuZhengwei XieZhuo Huang

We used machine learning methods to predict NaV1.7 inhibitors and found the model RF-CDK that performed best on the imbalanced dataset. Using the RF-CDK model for screening drugs, we got effective compounds K1... (read more)

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