Data for: Improved 3D-QSAR prediction by multiple-conformational Alignment： A case study on PTP1B inhibitors
收藏Mendeley Data2024-06-25 更新2024-06-26 收录
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Three different molecular alignment methods were used for the development of 3D-QSAR models.(1) docking-based alignment (DBA); (2) pharmacophore-based alignment (PBA) and (3) co-crystallized conformer-based alignment (CCBA).
创建时间：
2024-01-23
