Natural product molecular weight and ADMET-score averaged by cnidarian species
收藏DataCite Commons2022-08-19 更新2024-07-29 收录
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https://figshare.com/articles/dataset/Natural_product_molecular_weight_and_ADMET-score_averaged_by_cnidarian_species/20518275/1
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资源简介：
.csv file with fields containing: 1. species name 2. average molecular weight of compounds in MarinLit associated with the species 3. average ADMET-score of compounds in MarinLit associated with the species 4. taxonomic class 5. SubClass 6. Order 7. Family 8. Genus <br> Derivation of ADMET-score: Guan, L., Yang, H., Cai, Y., Sun, L., Di, P., Li, W. et al. (2019) ADMET-score–a comprehensive scoring function for evaluation of chemical drug-likeness. <em>MedChemComm </em>10, 148-157. doi: 10.1039/C8MD00472B <br> with modifications and source data in: Laguionie-Marchais, C., Allcock, A. L., Baker, B. J., Conneely, E.-A., Dietrick, S. G., Kearns F. et al. (2022) Not drug-like, but like drugs: cnidaria natural products. <em>Marine Drugs</em> 20 (1), 42. doi: 10.3390/md20010042 <br>
提供机构：
figshare
创建时间：
2022-08-19
