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Chemaxon

Cheminformatics Software

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Chemaxon cheminformatics software streamlines drug discovery

Chemaxon is a leading cheminformatics company providing software solutions for property calculation and molecule design, chemical drawing, chemical search, and compound data management.

Certara acquired Chemaxon in 2024 to close gaps in the design-make-test-analyze cycle, bring promising leads into biosimulation, and speed up the launch of new medicines. Together, we help you innovate with confidence by turning your discovery process into a competitive advantage.

Trusted worldwide

750,000
users globally

Streamline workflows and power scientific breakthroughs alongside a world-class community of researchers.

600
industry-leading companies

Choose Chemaxon to support your drug discovery and chemical infrastructure.

130
countries

Our tools are trusted by researchers worldwide, from the USA to Japan.

How Chemaxon transforms your drug discovery workflow

Chemaxon tools empower you to make scientifically grounded decisions, faster. By combining advanced models with your data and external sources, we help you predict what lies ahead—success or potential challenges—so your decisions are better informed.

Advanced molecule design

Our solutions support the creation of new molecule design ideas and enable medicinal chemists to utilize advanced computational techniques and visualize their data.

Universal chemical drawing tools

Chemaxon’s universal chemical drawing tool serves the needs of research scientists and gives them access to our industry-standard chemical intelligence.

Scale your data management

We support the standardization of chemical information to improve the quality of training data for AI models and scale your search to the range of hundreds of millions – billions of chemical structures.

Cheminformatics products designed for excellence

Design Hub

Design and track compounds for drug discovery teams and collaborators that connect scientific hypotheses, candidate compound selection, and computational capabilities.

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Marvin

The only chemical drawing tool you will ever need.

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Compound Registration

Streamline compound registration with an efficient, secure, and compliant platform for managing chemical entities.

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JChem Engines

Search through tens of millions of chemical compounds with unmatched speed and accuracy.

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Calculators and Predictors

Execute high-quality physico-chemical calculations and predictions.

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Compliance Checker

Ensure regulatory compliance at the click of a button.

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cHemTS

Automate HS code assignment for instant, structure-based classification.

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Chemical Structure Representation

Canonicalization and correction of chemical structures.

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“At Cancer Research Horizon, using Chemaxon's Compliance Checker has been a game changer. It gives us the critical assurance we need to manage our compound shipment as well as compliance during production, procurement, and inventory globally, making sure we meet all regulatory requirements at any moment. The tool's reliability and the peace of mind it brings are invaluable to our ongoing research and development efforts.”

Kevin DoyleVice President of Medicinal Chemistry & DMPK
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“At Bayer, we started using Chemaxon's Markush Editor for drafting claims of patent applications several years ago. The Markush Editor is a very user-friendly approach for a better understanding of the chemical field to be patented and offers the patentee a new way of analyzing the chemical environment.”

Alberto BertuccoItalian and European Patent Attorney, Senior Patent Counsel

Speak to Chemaxon

Discover how Chemaxon’s innovative cheminformatics software can drive your research forward. We are here to support your discovery potential.

Schedule a consultation