Results 181 to 190 of about 21,290 (203)

Cheminformatics for accelerated design of chemical admixtures

Cement and Concrete Research, 2020
Christopher M Childs, Kimberly E Kurtis, Cheng Zhang   +2 more
exaly  

AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets

Computer Physics Communications, 2023
Dionisios G Vlachos
exaly  

Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design

European Journal of Medicinal Chemistry, 2021
Zhe Wang, Wufu Zhu, Ning-Hua Tan
exaly  

cheminformatics, n.

2023
openaire   +1 more source

Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics

Nature Methods, 2017
Zijuan Lai, Hiroshi Tsugawa, Gert Wohlgemuth   +2 more
exaly  

Molinspiration cheminformatics

Choice Reviews Online, 2006
openaire   +1 more source

Cheminformatics and virtual screening studies of COMT inhibitors as potential Parkinson’s disease therapeutics

Expert Opinion on Drug Discovery, 2020
Georgia Melagraki, Thomas Mavromoustakos, Lefteris C Zacharia   +2 more
exaly  

A cheminformatics approach to characterize metabolomes in stable-isotope-labeled organisms

Nature Methods, 2019
Hiroshi Tsugawa, Ryo Nakabayashi, Mikiko Takahashi   +2 more
exaly  

Cheminformatics in Drug Discovery, an Industrial Perspective

Molecular Informatics, 2018
Hongming Chen, Thierry Kogej, Ola Engkvist   +2 more
exaly  

Five Years of the KNIME Vernalis Cheminformatics Community Contribution

Current Medicinal Chemistry, 2020
Stephen D Roughley
exaly