Marvin.

The latest version of Marvin is a versatile chemical editor designed to meet the needs of chemists engaged in research and drug discovery. Its modern, intuitive interface, complete with familiar shortcuts, enables rapid drawing. It functions as both a primary chemical sketcher and seamlessly integrates with various platforms, including ELNs, registration systems, and Microsoft Office. Marvin leverages ChemAxon’s industry-leading chemical intelligence to detect errors, perform real-time calculations and predictions, and provide a robust suite of tools for creating publication-quality chemical schemes.

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Instant JChem

nstant JChem (IJC) is a comprehensive, ready-to-use desktop application designed for scientists to efficiently create, manage, and analyze chemical structures along with associated non-chemical data. It provides a user-friendly interface for seamless data exploration, making it an essential tool for chemical and biological research. IJC offers extensive functionality, including customizable database views that allow users to organize and visualize data as needed. It supports library enumeration, enabling the generation and management of virtual compound libraries. Additionally, it features dynamic column population, where molecular properties and descriptor predictions.

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ChemCurator

ChemCurator is a desktop application designed to extract chemical structures from patents, journal articles, and other documents in English, Chinese, and Japanese. It integrates ChemAxon’s text mining, structure handling, and Markush technologies while also identifying and highlighting chemical structures within documents. It also integrates OSRA and CLiDE for OSR.

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JChem Engines

High performance and chemical intelligence come together in JChem Engines, a solution developed in collaboration with chemists to enhance your research informatics systems. It delivers highly accurate individual and combined search results in just seconds, empowering researchers to quickly access the data needed to advance their projects. Designed to manage tens of millions of datasets without compromising speed, JChem Engines offers seamless integration with your IT environment while maintaining exceptional performance.

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Design Hub

Chemaxon’s Design Hub is a unified platform that seamlessly connects scientific rationale, compound design, and computational resources. It supports medicinal chemistry from analysis to idea prioritization, replacing traditional PowerPoint files into graphical, chemically searchable hypotheses that integrate directly into the compound design process. With a rich visual interface, you can easily work with trusted phys-chem properties, computational models, novelty considerations, and purchasable compound catalogs. Design Hub allows users to use third party tools by integrating them in Design hub.

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Chemical Naming

Chemaxon provides a robust naming engine that enables bi-directional conversion between chemical and biochemical structures and their corresponding names in various formats. Beyond supporting IUPAC and traditional names, it can recognize common names and CAS Registry Numbers®, sourced via public web services. The engine can reference a customizable local dictionary, database, or web service to convert corporate IDs or any arbitrary text into structures. In addition to English, our technology also supports name-to-structure conversion in Chinese and Japanese.

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Calculators & Predictors

Chemaxon’s industry-standard solution for property predictions delivers fast and accurate chemical calculations across multiple endpoints. It combines exceptional precision, reliability, seamless integration, and broad accessibility to meet diverse research needs. Some available calculations include: ADMET (BBB, MPO, hERG), Protonation ( pKa, major microspecies), Partitioning (LogP, logD, HLB), Solubility (logS), NMR (C13 and H1), Isomers, Structural Calculations( HBDA, 2D topological descriptors, 3D geometrical descriptors, Molecular surface calculations, 3D conformer generation, molecular dynamics, 3D Alignment)

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JChem for Office

JChem for Office seamlessly integrates chemical structure handling, analysis, visualization, and reporting into the Microsoft Office environment. It enables structure editing and easy copy-pasting across Excel, Word, PowerPoint, and Outlook, while retaining the editability of the chemical structure. The Excel add-on enhances chemistry management with fast loading and scrolling through thousands of structures including structure search. Advanced features include structure-based calculations, R-group decomposition, library enumeration, and SAR table generation, making it a powerful tool for data-driven research and reporting.

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Markush Editor

Drafting a patent claim that encompasses all desired compounds while avoiding overlap with prior art can be complex and demanding. Markush Editor streamlines the process, saving time and effort while ensuring precise, high-quality claims. Markush Editor helps users with Composing Markush structures, Hierarchic R-group representation, Interactive Markush analysis and Generating Markush claims text.

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Reactor

Generate chemically feasible products
Reactor simulates virtual reactions using defined reaction schemas, applying them to a wide range of reactants to generate corresponding products. By defining detailed reaction schemes, the tool integrates organic chemistry knowledge to guide virtual enumeration. Reactor is available as a desktop application, command-line tool, and integrates with workflow tools like KNIME and Pipeline Pilot. It also offers programmatic access via Java or REST API.

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Compound Registration

Streamline your chemical decision-making workflow with Compound Registration. This system compares the uniqueness of new small molecules to those already in your database, triggering a decision process based on your configured business logic. It includes a registry database that stores essential structural and related information. Compounds undergo normalization, validation, and quality checks before registration. If issues cannot be resolved automatically, they are directed to a staging area for manual review. Once successfully registered, compounds can be stored in a three-level hierarchy.

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Chemical Structure Representation

Chemaxon’s chemical structure representation toolkit consists of two main components: Standardizer and Structure Checker. Standardizer’s main purpose is to transform chemical structures into representations that obey certain chemical business rules to avoid inconsistencies in a chemical database, whereas Structure Checker searches molecules for structural problems. In case it finds an issue, the error in a structure is highlighted, and an instant solution is prompted.

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Chemical Data Management

Chemaxon provides tools that enable chemists and biologists to capture, store, and seamlessly search chemical and biological information.

Accurately and quickly, search for hundreds of million of chemical structures employing proprietary Chemaxon engines. Use developer-oriented APIs which means your data is always within reach.

How do we differentiate ourselves?

• Tailored registration It is possible to register data the way you like it.
• Neat GUIs (Compound Registration, Marvin JS used for searching).
• Many of our partners have trusted the searching capabilities.
• Structure Checker and Standardizer for cleaning data during the data entry.
• Strongest search for structures defined by enumeration principles.
• Other out-of-the-box solutions can be integrated via API.

Drug Discovery – Lead Optimization 

Optimize Your Drug Discovery Process

Enhance your research by comparing your results with both public and corporate databases. Monitor progress and responsibilities effortlessly. Visualize your findings in a clear manner. Bring together idea “slides,” task assignments, and computational tools in one centralized location.

Gather design concepts and insights from various sources, all stored in a searchable archive.

Facilitate asynchronous design discussions, enabling idea sharing and feedback whenever it suits you.

Collaborate with Contract Research Organizations (CROs) by securely sharing only the information you choose.

Utilize physicochemical property predictors as a modeling and calculation tool, empowering computational chemists to provide resources for medicinal chemists effectively

Chemistry R&D – Patent Management

Revolutionize Your Patent Management

Streamline your processes and free up valuable time by minimizing manual tasks and reducing the risk of human error.

• Effortlessly verify if your exemplars fall under your claims.
• Construct a Markush structure using a selection of examples.
• Automatically generate claims from Markush structures.
• Create and enumerate Markush structures with ease.
• Extract essential data from patents.
• Analyze exemplar structures in relation to claims.

What sets us apart?

• We stand as your dedicated scientific ally, offering unparalleled Markush structure searches.
• Precision is our hallmark: Our Markush product includes detailed overlap analysis.
• Experience speed like never before with our swift searches across extensive Markush libraries.
• Designed with you in mind, we provide an intuitive patent claim drafting process that simplifies your experience.

Chemistry R&D – Compound Synthesis

Harness top-tier chemical search and drawing tools and monitor your experimental data seamlessly. Register compound structures along with relevant meta-data, including samples, analyses, and assays. Integrate our cloud-native workflow effortlessly into your existing technology setup. Enjoy the support of a leading chemical engine that sets industry standards.

What sets us apart?

• We’ve built our platform on Chemaxon’s recognized search and storage technology.
• You can validate and standardize structures based on your specific business rules.
• Tailor, customize, and integrate our tools to meet your unique requirements.
• Adapt registry components to fully leverage our sophisticated structure handling capabilities.

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