LogP Database

该数据库包含4533个有机氟分子 (OFL datasets) 及非氟分子 (nonF-datasets) 的 log P 数据以及分子的极性 (α, MPI) 和氢键特征 (N_HB^D, N_HB^A, N_HB(F)^A) 相关数据。

The lipophilicity database contains 4533 samples of organofluorine molecules (OFL dataset) and non-fluorinated molecules (nonF-datasets), in which the log P values determined by experiments or DFT (density functional theory) calculations and the polarity features (α, MPI) as well as the hydrogen bonding features (N_HB^D, N_HB^A, N_HB(F)^A) are collected.

To request the code and data, please complete the LICENSE FORM, scan and email it to majing@nju.edu.cn.