Chem-bioinformatics software for the next generation of scientists

We set the industry standard for quality and accuracy. Over 1 million scientists, academics and researchers use our tools to streamline their workflows and power their scientific breakthroughs.


Latest news

Keep up to date with the latest Chemaxon news, product updates, and industry insights.

03 10 2022
2 mins

Calculate on the cloud

In order to increase the flexibility, access and integrability, Calculators and Predictors have been made available as a REST API SaaS via AWS Marketplace.

03 06 2022
2 mins

Chemical.AI and Chemaxon Announce Collaboration in Scientific Informatics Software Integration

Chemical.AI, a global leader in Artificial Intelligence (AI) for synthesis route design and prediction and Chemaxon, a leading chemical and biological soft

03 06 2022
1 min

Response to CVE-2022-22970, CVE-2022-22978

Summary of Chemaxon Actions: Chemaxon architects and engineering teams are actively investigating the vulnerabilities CVE-2022-22970(Spring Framework DoS v

Where scientific expertise meets IT excellence

Working alongside both our in-house chemists and biologists, and our clients, we build products that deliver outstanding performance and scientific understanding.

In the last 20+ years, our tools have inspired scientists to chase their curiosities and find their next big lightbulb moment.

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Who we work with

It is hard to beat the industry standard when you are the industry standard. (Although we do try.) That’s why you will find our software in all the major chemical companies and educational institutions worldwide.

Our products

Experience the Chemaxon quality. We provide best-in-class tools for compound design, chemical drawing, regulatory assistance and more.

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Drawing & Representation
Calculations & LibEnum
Chemical Data Management
Drug Discovery - Lead Optimization
Chemistry R&D - Patent Management
Chemistry R&D - Compound Synthesis
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Full featured chemical editor for all platforms

Chemical Naming

Convert chemical names into structures

Markush Technology

Smart assistant for patent claim drafting and Markush analysis

Chemical Structure Representation

Standardization and correction of chemical structures


Calculate properties instantly, search chemical data, and draw molecules online

Compound Registration

Normalize, check, validate and register chemical compounds


High performance virtual synthesis engine

JChem for Office

Chemical structure handling, data analysis, visualization and reporting capabilities within MS Office

Design Hub

A single platform that connects scientific rationale, compound design and computational resources

JChem Engines

Search through tens of millions of chemical compounds and receive relevant query hits in seconds.

Calculators and Predictors

Execute high quality physico-chemical calculations and predictions.

ELN (Electronic Lab Notebook)

Provides a smooth experience in preparing, executing and capturing data of small molecule synthesis experiments

Compliance Checker

Identify controlled substances with Compliance Checker and assign HS tariff codes with cHemTS - the easy way to comply with chemical regulations.

Discovery Tools

From clustering and diversity analysis for chemical libraries to 2D and 3D molecular screening

Instant JChem

Create, explore and share chemical data


Computer-assisted chemical information extraction and analysis


A Formula for Interactive Chemistry Education

Trainer Engine

Predict molecular properties and boost the efficiency of machine learning workflows.


Browse our use cases and workflows for solutions for in silico research

Whether you are a student with big ambitions, or a chemist on the cusp of a world-changing breakthrough, we have a solution fit for your needs.


Chemical Data Management

Capture, manage and access chemical and biological entities and associated data.

Calculations_Design Hub

Drug Discovery - Lead Optimization

Analyze, ideate, design, collaborate, and prioritize your research in your DMTA (Design-Make-Test-Analyze) cycle.

Calculations_Calculators and Predictors

Chemistry R&D - Patent Management

Create Markush structures from libraries of compounds. Accelerate the extraction of chemical structures from published patents.


Chemistry R&D - Compound Synthesis

Design, execute, capture, search and share. Chemistry experiments run better with our industry standard technology.



Advance chemistry education with industry standard cheminformatics technologies.

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Live or virtual, we love to share and discuss with our users. Join us in person, or online, we are looking forward to seeting you!

20 09 2022
1 min

Chemaxon User Meeting - Bangalore 2022 : Nov 28 – 29, 2022 - TAJ MG Road, Bangalore

We are especially excited to announce our upcoming User Meeting, hoping to meet all of our peers in person in the TAJ MG Road, Bengaluru in November.

20 09 2022
1 min

Chemaxon User Meeting - Tokyo 2022 : Oct 18, 2022 - Sepia Tower, Tokyo

We are especially excited to announce our upcoming User Meeting, hoping to meet all of our peers in person in the Station Conference Hall, in Sepia Tower,...

20 09 2022
2 mins

Chemaxon User Meeting - San Diego 2022 : Oct 4, 2022 - Bahia Resort Hotel, San Diego

We are especially excited to announce our upcoming User Meeting, hoping to meet all of our peers in person in San Diego on October 4th 2022