pKa dataset. Molecule are coded by ECFP4 fingeprint singularly exploited

Name: pKa dataset. Molecule are coded by ECFP4 fingeprint singularly exploited
Creator: Fraunhofer Institute for Translational Medicine and Pharmacology
Published: 2024-06-07T00:00:00+08:00

Zenodo2024-06-07 更新2026-04-07 收录

药物ADMET性质

pKa机器学习建模

数据链接：

https://zenodo.org/doi/10.5281/zenodo.11518779 数据链接链接失效反馈

官方服务：

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))

提供机构：

Fraunhofer Institute for Translational Medicine and Pharmacology

创建时间：

2024-06-07

pKa dataset. Molecule are coded by ECFP4 fingeprint singularly exploited

资源简介：

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