Additional file 5 of QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
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https://figshare.com/articles/dataset/Additional_file_5_of_QSAR-derived_affinity_fingerprints_part_1_fingerprint_construction_and_modeling_performance_for_similarity_searching_bioactivity_classification_and_scaffold_hopping/12610141
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资源简介：
Additional file 5. Similarity searching task. Average values of AUC and EF5 for individual sets in the HET and HOM data sets obtained using various settings (affinity cutoffs of 5-8, AD estimation turned on and off) for the construction of the b-QAFFP fingerprint.
创建时间：
2020-05-29
