Macs in Chemistry

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ChemAxon is a privately owned software company specialising in the development of toolkits for chemistry in life science research. The company started in 1998 with the development of its Marvin structure viewing and sketching tool. It later added JChem, a database searching tool and from there has added predictive plug-ins (pKa, LogP/D, TPSA, Charge etc), cartridge for Oracle and virtual synthesis and screening toolkits. ChemAxon currently has over 200 clients throughout life science research and over 1,000 Academic users, listing here

ChemAxon toolkits currently available
  • Marvin for editing and viewing chemical structures, reactions and queries,
  • Calculator Plugins for prediction of various properties based on structure,
  • JChem Base for structure and reaction searching and database handling,
  • Instant JChem desktop application for local and remote structure database management, search and prediction
  • JChem Cartridge for Oracle® database integration,
  • Standardizer for structure canonicalisation,
  • Reactor for structure transformations and library enumeration,
  • Screen for pharmacophore and structure based screening,
  • JKlustor for clustering and diversity analysis,
  • They are also currently completing our toolkit for drug design.
On the website they have demos of (Java required):
Marvin and Calculator Plugin (unlimited structure based predictions for pKa, logP, logD, polar surface area (PSA), charge distribution, polarizability prediction, H-bond aceptor/donor, tautomer, resonance, conformer, topology analysis, etc) :
MarvinSpace (OpenGL required):
Maximum Common Substructure clustering:
Listing of all public implementations:

Scientific materials (Powerpoint and pdf required):
ChemAxon in ~20 slides:

Download and documentation
Instant JChem:
Support docs:
Technical Support Forum:

Academic Package - Free software for teaching and academic research
Conditions and application:

FreeWeb Package - Free cheminformatic tools for freely accessible, non commercial websites
More details:
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