Carcinogenic Activity AA and NA.xlsx
收藏Figshare2021-08-26 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Carcinogenic_Activity_AA_and_NA_xlsx/16451214/1
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资源简介：
This is a dataset generated via VEGAZZ and DFT calculations for 58 aromatic amines and nitroaromatics, accounting for both procarcinogens and activated metabolites. Conceptual DFT energies were calculated as well as other molecular descriptors. Data was fixed to the Carcinogenic Potency and Carcinogenic Activity of the study molecules.<br>
提供机构：
Halabi Diaz, Andres
创建时间：
2021-08-26
