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Additional file 4 of QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

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NIAID Data Ecosystem2026-03-11 收录
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https://figshare.com/articles/dataset/Additional_file_4_of_QSAR-derived_affinity_fingerprints_part_1_fingerprint_construction_and_modeling_performance_for_similarity_searching_bioactivity_classification_and_scaffold_hopping/12610138
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资源简介:
Additional file 4. Scaffold hopping task. The list of targets used for scaffold hopping potential assessment, the number of ACSKs and RACSKs and the number of ACSKs retrieved using the Morgan2, b-QAFFP and rv-QAFFP fingerprints and the combination rv+b-QAFFP.
创建时间:
2020-05-29
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