Supplementary Materials I, II, III-"Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to Rat Using Simple 2D Descriptors and Interspecies Toxicity Modeling with Mouse"

8. Supplementary Materials-I-Table S1-S27.xlsx: This Excel file is the Supplementary Materials I of our article "Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to Rat Using Simple 2D Descriptors and Interspecies Toxicity Modeling with Mouse". This file contains the detailed information about the modeling dataset, statistical parameters, internal and external validation results, prediction qualtiy for each model and each compounds in test set and true external set, etc. Please see each sheet in the Excel file. 9. Supplementary Materials-II-Figure S1-S6.docx: This Excel file is the Supplementary Materials II of our article "Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to Rat Using Simple 2D Descriptors and Interspecies Toxicity Modeling with Mouse". 10. Supplementary Materials-III-Table S1-S3.docx: This Excel file is the Supplementary Materials III of our article "Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to Rat Using Simple 2D Descriptors and Interspecies Toxicity Modeling with Mouse".8. 补充材料I-表S1-S27.xlsx：本Excel文件为论文《基于简单二维描述符的多环芳烃（Polycyclic Aromatic Hydrocarbons, PAHs）对大鼠急性经口毒性的化学计量学定量构效关系（Quantitative Structure-Activity Relationship, QSAR）建模及跨物种小鼠毒性建模》的补充材料I。该文件包含建模数据集、统计参数、内部与外部验证结果、测试集与真实外部集中各模型及各化合物的预测质量等详细信息，请查阅该Excel文件中的各工作表。 9. 补充材料II-图S1-S6.docx：本Word文档为上述论文的补充材料II。 10. 补充材料III-表S1-S3.docx：本Word文档为上述论文的补充材料III。