Ions and radicals serve as key intermediates in molecular transformation, with their chemical properties being essential for understanding and predicting reaction reactivity and selectivity. In this d

Figshare2024-10-22 更新20

Size-Extensive Molecular Machine Learning with Global Representations.

分子机器学习

化学信息学

Original data of Jung H, Stocker S, Kunkel C, Oberhofer H, Han B, Reuter K, Margraf JT. Size‐Extensive Molecular Machine Learning with Global Representations. ChemSystemsChem. 2020 Jul;2(4):e1900052.

DataCite Commons2023-06-06 更新100

Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration

CHK1激酶抑制剂结构解析

基于结构的药物发现

Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration Descriptor: 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEI

Protein Data Bank Japan2023-12-20 更新30