Article
ScaffComb: A Phenotype-Based Framework for Drug Combination Virtual Screening in Large-Scale Chemical Datasets.
Advanced science (Weinheim, Baden-Wurttemberg, Germany) - 1 Dec 2021
Ye Zhaofeng, Chen Fengling, Zeng Jiangyang, Gao Juntao, Zhang Michael Q
Abstract excerpt
Combinational therapy is used for a long time in cancer treatment to overcome drug resistance related to monotherapy. Increased pharmacological data and the rapid development of deep learning methods have enabled the construction of models to predict and screen drug pairs. However, the size of drug libraries is restricted to hundreds to thousands of compounds. The ScaffComb framework, which aims to bridge the...
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