Quantitative Prediction of Hemolytic Toxicity for Small Molecules and Their Potential Hemolytic Fragments by Machine Learning and Recursive Fragmentation Methods.
Suqing ZhengJun XiongYibing WangGuang LiangYong XuFu LinPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- machine learning
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- significant improvement
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- computer vision
- benchmark datasets
- neural network
- decision trees
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- machine learning and statistical