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JChem Focus: Choral, Micro Services
Adding chemical intelligence to different databases is one of the most mature and robust elements...
Mastering MarvinJS - Drawing tool for Mastering Chemistry
Learning organic chemistry is one of the most challenging tasks an undergraduate can choose to...
Enrichment of Analytical Data by Adding Chemical Information
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Shrinking the Haystack
Haystack project introduces the problem of finding the relevant information in the ever-growing...
ChemAxon and Mestrelab Use Case
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QSAR Development for Plasma Protein Binding: Influence of the Ionization State
This study explored several strategies to improve the performance of literature QSAR models for...
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
Vacuum-assisted evaporative concentration (VEC) was successfully applied and validated for the...
P-Type Low-Molecular-Weight Hydrogelators
As the use of low-molecular-weight gelators (LMWGs) as components in single and multicomponent...
A2B Adenosine Receptor Antagonists with Picomolar Potency
The A2B adenosine receptor (A2BAR) was proposed as a novel target for the (immuno)therapy of cancer...
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
We analyze small molecule ligand binding to ATAD2 bromodomain by molecular dynamics and protein...
Cloud Solution for Early Drug Discovery Data Management
We live in the World where information is literally at our fingertips, however, scientists still...
In Silico Identification of JMJD3 Demethylase Inhibitors
In the search for new demethylase inhibitors, we have developed a multistep protocol for in silico...