Replication Data for Machine Learning Modeling of pKa
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://doi.org/10.7910/DVN/6A67L9
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资源简介：
Cleaned some public pka datasets containing experimental and calculated data for ML modeling and providing protonated and deprotonated molecular topology graphs as well as the reaction centers
创建时间：
2024-03-30
