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资源简介：
QM9, LBA, MSP datasets preprocessed by EPT.
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创建时间：
2025-12-11
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Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule
This repository contains the source data, analysis outputs, and metadata for âOligomerization enables the selective targeting of an intrinsically disordered region by a small molecule.â Datasets s
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Average and median values of the lowest RMSD reported for rDock (dock and dock_solv potentials), AutoDock Vina, and iDock.
Values calculated for all structures in the testing set (A), only for structures for which all programs completed docking (B), and only for structures for which RMSD values of poses found by all progr
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introvoyz041/SmilodonUnif
--- dataset_info: features: - name: SMILES dtype: large_string - name: qed dtype: float32 - name: SPS dtype: float32 - name: MolWt dtype: float32 - name: BalabanJ dtype
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BindingDB Entry 50041839: 3D QSAR studies on a series of potent and high selective inhibitors for three kinases of RTK family.
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