Virtual screening data sets for fragmented interaction fingerprint
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资源简介：
Data sets containing docking poses, structure-activity relationship matrix (SARM) train-test splitting, and 2048 bits extended connectivity fingerprint (ECFP) descriptors for four biological targets. Poses were generated by employing molecular docking using Molecular Operating Environment (MOE) software. Details will be described in the original publication.
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Zenodo创建时间：
2024-06-06
