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

• Main Author: Le, Thi Thu Huong
• Format: Article
• Language: English
• Published: Mol2Net 2016
• Subjects: Atom-based quadratic index; Classification and regression model; Machine learning; Proteasome inhibition; QSAR; TOMOCOMD-CARDD software
• Online Access: http://repository.vnu.edu.vn/handle/VNU_123/11510
• Institution: Vietnam National University, Hanoi

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...