ChEMBL-v33 LogD structure activity
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This is an update of the dataset for the previously published manuscript A confidence predictor for logD using conformal regression and a support-vector machine. The main update is that it is based on a newer version of ChEMBL (v33, May 2023). The dataset consists of 2,311,523 chemical structures and the LogP property from ChEMBLS is CX LogD 7.4. The data was extracted following the procedure outlined in download data.
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Uppsala University创建时间:
2024-02-15



