Additional file 5 of Data mining of PubChem bioassay records reveals diverse OXPHOS inhibitory chemotypes as potential therapeutic agents against ovarian cancer
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https://springernature.figshare.com/articles/dataset/Additional_file_5_of_Data_mining_of_PubChem_bioassay_records_reveals_diverse_OXPHOS_inhibitory_chemotypes_as_potential_therapeutic_agents_against_ovarian_cancer/27184952/1
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Additional file 5. Compounds used in training set. List of 51 documented OXPHOS inhibitors and how they score relative to the test set in both RFC and SVC models. 44 of these documented inhibitors were not in the original training set and therefore serve as an additional test set for the models. True labels and classification labels are also provided in addition to model probability scores.
提供机构：
Feng, Liping; Sharma, Sejal; Barroilhet, Lisa; Ericksen, Spencer S.; Kapur, Arvinder; Patankar, Manish S.; Boonpattrawong, Nicha
创建时间：
2024-10-08
