Chemical and Behavioral Fingerprinting Data for the Identification of Neuroactive Compounds in Crude Oil-Derived Water Accommodated Fractions

Data and Code Description
This dataset supports the identification and mechanistic evaluation of neuroactive chemicals present in crude oil-derived water accommodated fractions (WAF) using behavioral phenotyping in zebrafish larvae and analytical chemistry.
It includes GC×GC-MS compound annotations, behavioral cluster assignments for reference neuroactive chemicals, and R scripts for generating standardized effect size (SSMD) heatmaps, cloud plots, and multidimensional scaling (MDS) analyses.
Data processing was performed using KNIME, and all visualizations were created in RStudio.

数据与代码说明
本数据集可借助斑马鱼幼体行为表型分析与分析化学手段，实现原油源水可溶馏分（Water Accommodated Fractions, WAF）中神经活性化学物质的鉴定与机制评价。
数据集涵盖全二维气相色谱-质谱联用（GC×GC-MS）的化合物注释信息、参比神经活性化学物质的行为聚类分配结果，以及用于生成标准化效应量（SSMD）热图、云图与多维标度（MDS）分析的R脚本。
数据处理工作通过KNIME平台完成，所有可视化内容均在RStudio中生成。