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"
Description
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".