Characteristics of active and inactive compounds.
收藏NIAID Data Ecosystem2026-03-07 收录
数据链接：
官方服务：
资源简介：
aHighest occupied molecular orbital energy. bLowest unoccupied molecular orbital energy. cHOMO-LUMO energy gap. dOctanol/water partition coefficient using Ghose-Crippen method. eSolvation energy using Truhlar model SM5.4. fDipolar moment.
创建时间：
2015-12-02
