Additional file 1: S1. Training and test sets of the models with the corresponding JRC validated QMRFs.

Figshare2018-03-09 更新120

Supplementary data for the manuscript "Technical note: Estimating aqueous solubilities and activity coefficients of mono- and α,ω-dicarboxylic acids using COSMO-RS-DARE"

溶剂化模型

生化性质预测

.cosmo files (BP-TZVPD-FINE) of dicarboxylic acids (C2-C8), dimers and monohydrates of mono- (C1-C6) and dicarboxylic acids, and water dimer.

NIAID Data Ecosystem100

Glucocorticoid Receptor - Morgan Fingerprints

生化性质预测

分子指纹

Dataset containing a Flame QSAR model for predicting Glucocorticoid Receptor activation. The model is described in the metadata.txt file. The gr_FPs_v000004.tgz file can be imported into any instance

DataONE2023-03-03 更新80

MOESM2 of OPERA models for predicting physicochemical properties and environmental fate endpoints

资源简介：

MOESM2 of OPERA models for predicting physicochemical properties and environmental fate endpoints

资源简介：

相关数据集