Zejun Huang

Jun 23, 2024 | chemistry-europe.onlinelibrary.wiley.com | Jiahao Xu |Zejun Huang |Hao Duan |Weihua Li

Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.

Jun 23, 2024 | onlinelibrary.wiley.com | Jiahao Xu |Zejun Huang |Hao Duan |Weihua Li

Conflict of Interests The authors declare no conflict of interest. Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.

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.