pKa dataset. Molecule are coded by ECFP4 fingeprint singularly exploited
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资源简介：
This dataset has been used for ML modelling (see Fraunhofer-ITMP/pKa_model_shiny: Repository of the FhG-ITMP ADME models for pKa (github.com))
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Zenodo创建时间：
2024-10-09
