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JChem Base & Cartridge III: Structure searching in memory and visualizing results - Developer Training
Continuing our previous webinar on database tasks, in this training we will give an overview about...
Convert chemical file formats in Python using JChem Web Services
Chemical file formats can always cause trouble, because most of the tools do not support all...
Stereo models explained
Stereo models determine the way stereo chemistry is calculated, which affects stereo matching. The...
Challenges of polymer informatics and the driving force
Polymers are arguably the single most used materials in the modern age, however there are only a...
Five basic things you need to know about MarvinSketch
Whether you are in academia or in industry as a chemist, a drawing package is an essential tool in...
Clustering by scaffolds
This post is a tutorial to a new component in IJC, the Tree Table. Do you have some interesting use...
Gostar
Information on SAR, pharmacological effects, toxic properties and clinical outcomes is crucial for...
Hierarchical clustering of chemical structures by maximum common substructures
Cluster analysis has been shown to be successful in the categorization of physico-chemical and...
Scripting Dotmatics Vortex 3
ChemAxon's Calculator (cxcalc) is a really useful command line program in Marvin Beans and JChem...
ZINC-12: A tool for the discovery, prioritization and acquisition of commercially available small molecule reagents for biology
The web interface of the ZINC database (ZINC Is Not Commercial) has been redesigned to simplify the...
Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances
Knowledge of the possible ionization states of a pharmaceutical substance, embodied in the pKa...
PBEQ-Solver for online visualization of electrostatic potential of biomolecules
PBEQ-Solver provides a web-based graphical user interface to read biomolecular structures, solve...