Machine Learning and Atom-Based Quadratic Indices for Proteasome Inhibition Prediction

• 主要作者: Le, Thi Thu Huong
• 格式: Article
• 語言: English
• 出版: Mol2Net 2016
• 主題: Atom-based quadratic index; Classification and regression model; Machine learning; Proteasome inhibition; QSAR; TOMOCOMD-CARDD software
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/11510

The atom-based quadratic indices are used in this work together with some machine learning techniques that includes: support vector machine, artificial neural network, random forest and k-nearest neighbor. This methodology is used for the development of two quantitative structure-activity...