官方服务:
资源简介:
TPSA(Tot) nHDon RBN Model
应用场景:
创建时间:
2015-05-16
相关数据集
Additional file 5 of QSAR-Co-X: an open source toolkit for multitarget QSAR modelling
Additional file 5. Folder (CS_4) containing the input file of SFS-LDA and GB models and the results (i.e., the output files from the current toolkit) obtained from the SFS-LDA for Case study-4.
Figshare2021-04-15 更新40
Experimental n-octanol/water Partition/Distribution Coefficients Database for Small Molecules
We critically compiled experimental values of logPN, pKa, logPI, and logDpH of 225 entries based on earlier literature reports. The experimental techniques of logPN , logDpH, and logPI for each molecu
NIAID Data Ecosystem10
MELLODDY Model Manipulation Software input files
Dummy input files used in the Model Manipulation Software of the MELLODDY project
Zenodo2022-05-18 更新10
MOESM3 of An integrated quantitative structure and mechanism of action-activity relationship model of human serum albumin binding
Additional file 3. File containing the R functions and scripts to create the integrative model.
Figshare2019-06-06 更新10
MOESM8 of The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility
Additional file 8. The curated temperature dependent solubility and enthalpy of solution datasets, including the calculated lattice energies, and the SUB-48 dataset.
Figshare2018-08-30 更新10



