Additional file 1 of Drug-target interactions prediction using marginalized denoising model on heterogeneous networks

Additional file 1. Compound-Protein Interaction pairs selected for large-scale CPIs prediction. This file records the detailed compound-protein interaction pairs selected for large-scale CPIs prediction. These data were extracted from STITCH database (Version 5.0) with combined scores greater than 900 in Homo sapiens and contains 13,286 drugs, 5313 targets, and 116,199 interactions. In this file, compounds are derived from PubChem with the prefix “CID”, proteins are derived from Ensembl with the prefix “ENSP”, scores are the combined scores in STITCH database. The scores indicate the interaction probability of corresponding compound protein interaction pair. All detailed information about these interactions can be found in STITCH database.

附加文件1：用于大规模化合物-蛋白质相互作用（Compound-Protein Interaction）预测的筛选配对数据集。本文件记录了为大规模化合物-蛋白质相互作用预测所筛选的全部详细配对信息。该数据集从STITCH数据库（版本5.0）中提取，筛选条件为智人（Homo sapiens）来源且综合评分大于900，共包含13286种药物、5313个靶点以及116199条相互作用记录。本文件中，化合物均来自PubChem数据库，标识符前缀为"CID"；蛋白质则来自Ensembl数据库，标识符前缀为"ENSP"；评分字段对应STITCH数据库中的综合评分。该评分代表对应化合物-蛋白质相互作用配对的相互作用概率。所有相互作用的详细信息均可在STITCH数据库中查询获取。