High performance, scalable toolkits for chemistry handling for your favorite database, architecture, analysis and workflow platforms. Including Marvin, JChem Base, JChem Cartridge, JChem Webservices, Standardiser, Structure Checker and Calculator Plugins.
ChemAxon is rooted in the development of cross platform toolkits and application programming interfaces (API’s) for enterprise chemistry information handling. Supporting developers with granular functionality, advanced customisation, fast development, comprehensive support, consultancy and a pragmatic strategy to respond to the fast paced change we see in the enterprise environment. Our functionality covers almost all the tasks of modern cheminformatics and is delivered through integration in the tools and approaches developers want to use, such as Oracle Cartridge, Web services, .NET, Share Point, Pipeline Pilot components, KNIME nodes, Java Applets, Beans and WebStart.
JChem Cartidge is a layer for JChem Base which adds chemical operators and JChem indexes to the Oracle SQL language. In addition to chemical database management and search functions, JChem Cartridge also supports structure transformations with our Standardiser and Reactor functionality, structure based predictions via ChemAxon’s Chemical Terms language and chemical format conversions including image generation.
JChem Base adds chemcial structure management and search to databases. It can work on all major database engines (Oracle, MySQL, SQL Server, Access, etc), through Web services and can be integrated through Java, .NET and Oracle Cartridge (JChem Cartridge). JChem Base has high performance (accuracy and speed), extensive customisation options and features to easily deploy within enterprise environments, such as canonicalisation and automatic generation of structure based predicitons. JChem Base and Marvin are completely integrated meaning anything that can be drawn in Marvin can be strored and found using JChem Base.
Marvin is a collection of tools for drawing, displaying and characterising chemical structures, reactions and queries. For developers there is a wealth of granular low and high level API and code examples for Java Applets, Beans, WebStart, .NET and Web Services. The Marvin family includes MarvinSketch (editor), MarvinView (structure and data viewer), MarvinSpace (high performance 3D structure and macro-molecule visualisation) and MolConverter (batch chemical file format conversion and image generation).
JChem WebServices is a Web interface which extends access to ChemAxon’s platform and discovery tools over the Internet or an internal network. JChem WebServices allows easier development of applications and scripting using other programming languages such as Java Script, Perl and Python and is a natural choice when developing service oriented architectures (SOA).
Standardiser is a canonicalisation tool that applies chemical business rules to convert molecules from different sources into standard representational forms. Users can easily build new rules such as identification of mesomers and tautomers and counter-ion removal for registration processes.
Structure checker is a tool for filtering drawing mistakes or special structural elements within chemical files. For most ‘checkers’ we provide ‘fixers’ to automatically correct errors. Structure checker is integrated with Marvin (listing of checker results while you edit) and is also available through API and command line, we work toward implementation throughout the ChemAxon product line.
Calculator Plugins are structure based prediction tools for small molecules covering a range of properties including logP, logD, pKa, conformers, 3D alignment and hundreds of other properties. Calculator Plugin results can be manipulated using ChemAxon’s Chemical Terms language to combine results and mathematical functions to produce arguments, such as Lipinski and lead likeness.
Beyond integration within your platform there are nodes and connection components to ChemAxon functionality from your favourite process and analysis workflow tools.
ChemAxon’s JChem for Excel and Instant JChem desktop applications use the same core classes as ChemAxon’s platform and discovery toolkits and also include application programming interfaces (API) leaving you free to deploy, build and extend your IT infrastructure as your enterprise demands.
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