Data for: hERG Liability Classification Models Using Machine Learning Techniques
收藏NIAID Data Ecosystem2026-03-11 收录
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资源简介：
This file pertains 1) all SMILES(except the evaluation set-3 which contains the compound data from in-house proprietary projects) with respective pIC50 values that were used in training and evaluating the models 2) list of descriptors that were used to build models
创建时间：
2019-05-13
