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Updated: Feb 17, 2026

Diagonal Method to Measure Synergy Among Any Number of Drugs
Published on: June 21, 2018
[Prediction of drug-target interaction based on fingerprint similarity]
Ya-Yun Yu1, Yong-Guo Liu1, Yu Jiang1
1Knowledge and Data Engineering Laboratory of Chinese Medicine, School of Information and Software Engineering, University of Electronic Science and Technology of China, Chengdu 610054, China.
Abstract:
Drugs play the pharmacological effects by combining with target proteins. Identification of drug-target interactions is important for discovering new functions of drugs. In this paper, the target fingerprints based on molecular substructure and the drug-target similarity based on fingerprints are proposed to a random forest-based classification method, in order to identify the drug-target interactions. Experiments on enzymes, ion channels, G protein-coupled receptors and nuclear receptors proved the effectiveness of the proposed method. In addition, the proposed method is applied to predict the interactions between ingredients and targets of traditional Chinese medicines.
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