Additional file 7 of QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
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Additional file 7. Biological activity classification task. Average values of AUC and EF5 for individual sets in the CLASS data sets obtained using various settings (affinity cutoffs of 5-8, AD estimation turned on and off) for the construction of the b-QAFFP and rv-QAFFP fingerprints.
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figshare创建时间：
2020-07-04
