Incorporating Multisource Knowledge To Predict Drug Synergy Based on Graph Co-regularization
| Autor: | Jiawei Luo, Pingjian Ding, Guanghui Li, Zihan Lai, Cong Shen, Cheng Liang |
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| Rok vydání: | 2020 |
| Předmět: |
Drug
Exploit Computer science General Chemical Engineering media_common.quotation_subject Library and Information Sciences Machine learning computer.software_genre 01 natural sciences Regularization (mathematics) Drug synergism 0103 physical sciences media_common 010304 chemical physics business.industry Computational Biology Reproducibility of Results Drug Synergism General Chemistry 0104 chemical sciences Computer Science Applications 010404 medicinal & biomolecular chemistry Drug Combinations Synergy Graph (abstract data type) Artificial intelligence business computer Software |
| Zdroj: | Journal of chemical information and modeling. 60(1) |
| ISSN: | 1549-960X |
| Popis: | Drug combinations may reduce toxicity and increase therapeutic efficacy, offering a promising strategy to conquer multiple complex diseases. However, due to large-scale combinatorial space, it remains challenging to identify effective combinations. Although many computational methods have focused on predicting drug synergy to reduce combinatorial space, they fail to effectively consider multiple sources of important knowledge. Thus, it is necessary to propose a computational method that can exploit useful information to predict drug synergy. Here, we developed a computational method to predict drug synergy based on graph co-regularization, named DSGCR. By incorporating drug-target network patterns, pharmacological patterns, and prior knowledge of drug combinations, DSGCR performs predictions of synergistic drug combinations. Compared to several existing methods, DSGCR achieves superior performance in predicting drug synergy in terms of various metrics via cross-validation. Additionally, we analyzed the importance of various sources of drug knowledge concerning three DSGCR's scenarios. Finally, the potential of DSGCR to score drug synergy was confirmed by three predicted synergistic drug combinations. |
| Databáze: | OpenAIRE |
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