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Navigating Massive Virtual (and Real) Libraries
We discuss several technologies to efficiently analyze very large libraries.
Update on Chemicalize Professional
Chemicalize is an online SaaS product providing UI based chemical calculations, drawing and...
JChem Engines
Overview of different JChem search engines during Cheminfo Stories 2020
ChemAxon more than 20 years in software development
Judit Kerekgyarto introduces the company and shines a spotlight on its history, products and main...
Webinar: See IP Differently – Using the power of visualized intellectual property intelligence to guide your molecular research strategy
With pressure on chemists to reduce the cost, time and risks of development, the need for...
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
Neonicotinoids are the fastest-growing class of insecticides successfully applied in plant...
C-H Functionalizations by Palladium Carboxylates: The Acid Effect
Finding optimal reaction conditions is usually complex, requires many experiments, and is therefore...
In silico study of 4- phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6- bisphosphate aldolase II
In this study, the synthesis, in vitro anti-Candida activity and molecular modeling of...
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs
ABSTRACT: A well-behaved model chemistry previously validated for the study of the chemical...
Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile
Nuclear receptors (NRs) are transcription factors that regulate gene expression in various...
Synthesis, structural, spectroscopic and DFT study on a palladium(II)- N-heterocyclic carbene complex
A new palladium complex with N-heterocyclic carbene (NHC) and phosphine ligands was prepared and...
Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Protein tyrosine phosphatase 1B (PTP1B) is a potential drug target for diabetes and obesity....