Yiqing Zhou

Oct 10, 2024 | arxiv.org | Yiqing Zhou |Yu ZHANG |Chao Wang |Yi Wei

Feb 8, 2024 | analyticalsciencejournals.onlinelibrary.wiley.com | Yiqing Zhou |Ze Wang |Zejun Huang |Weihua Li

CONFLICT OF INTEREST STATEMENT The authors have no conflicts of interest related to this research. Supporting Information Filename Description jat4586-sup-0001-Tables S1-S6.xlsxExcel 2007 spreadsheet , 251.8 KB Table S1. Details of the compounds collected. Table S2. Details of Murcko scaffolds of toxic compounds. Table S3. Details of Murcko scaffolds of non-toxic compounds. Table S4. Performance of the models on training set and test set. Table S5. Details of the optimal model. Table S6.