Collision energy is a key parameter determining the information content of beam-type collision induced dissociation tandem mass spectrometry (MS/MS) spectra, and its optimal choice largely affects suc

NIAID Data Ecosystem60

ChEMBL20 data sets for multi-property landscape analysis

化学信息学

化合物分析

Six data sets from ChEMBL (version 20) are provided with their ChEMBLID, SMILES (in SMILES.zip) and descriptor values (Properties.zip). Additionally, the coordinates of compounds and property axes dis

Mendeley Data2024-06-25 更新100

1H nuclear magnetic resonance spectroscopy (1H NMR) (3,5-dichloro-4-pyridin-4-ylpyridine)

核磁共振光谱

化合物分析

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

DataCite Commons2025-03-17 更新70