Dataset of Topological Regions and Experimental Carcinogenic Activities of Polycyclic Aromatic Hydrocarbons

Note: This dataset is associated with a manuscript currently under peer review. Access is provided for review purposes only. Please cite the manuscript once it is published.Description: This dataset contains tabulated information for 302 polycyclic aromatic hydrocarbons (PAHs), including their molecule serial code, IUPAC names, chemical structures, topological region counts (BFHC indices), fused benzene ring-based topology classification, experimental carcinogenicity values along with their corresponding classifications. This dataset facilitates analysis of topological descriptors in relation to improve predictive modeling of PAH carcinogenicity.注意：本数据集关联一篇目前处于同行评审阶段的稿件，仅为评审目的提供访问权限。稿件正式发表后，请引用该稿件。本数据集包含302种多环芳烃（polycyclic aromatic hydrocarbons，PAHs）的表格化信息，涵盖其分子序列代码、国际纯粹与应用化学联合会（International Union of Pure and Applied Chemistry，IUPAC）名称、化学结构、拓扑区域计数（BFHC指数）、基于稠合苯环的拓扑分类、实验致癌性数值及相应分级。本数据集可助力拓扑描述符的相关分析，以优化多环芳烃致癌性的预测建模工作。