All the performance of our enterprise and discovery cheminformatics toolkits on your desktop. Including Marvin, JChem for Excel, Instant JChem, Calculator Plugins, Reactor, Standardiser and Structure Checker.
Our desktop solutions are based on our enterprise cheminformatics toolkits and built to be easy to install, use and customise. The desktop applications cover the majority of cheminformatics functionality needed in professional research environments and are available for all major operating systems. ChemAxon’s desktop products represent a mechanism to keep delivering the most useful and relevant features from our enterprise toolkits to the greatest number of users in a way that compliments how users work.
JChem for Excel integrates the structure handling capabilities of JChem and Marvin within a Microsoft Excel environment. Structures are ‘live’ within spreadsheets and be can viewed, edited, searched, re-sized, ordered and managed. Implementation is robust with fast loading/ scrolling of many thousands of structure rows and copy paste throughout the Microsoft Office® suite. More advanced functionality includes; structure based calculations, R-group decomposition and library enumeration.
Instant JChem is a desktop application, for all major operating systems, to manage and work with chemical structures and data using local and shared databases. Instant JChem includes it’s own database engine to let users easily create flat and relational chemical databases, import and export structure files and merge, view, search, sort, analyse and edit contents. Instant JChem integrates other ChemAxon technologies including: Calculator Plugins, Reactor and Markush enumeration/search.
Marvin is a collection of tools for drawing, displaying and characterising chemical structures, reactions and queries. It is chemically intelligent, with a wide file format support, discrete structure checking/fixing as well as generating and displaying structure based prediction results (Calculator Plugins). The Marvin family includes MarvinSketch (editor), MarvinView (structure and data viewer) and MarvinSpace (high performance 3D structure and macro-molecule visualisation).
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. Calculator Plugins are implemented in Marvin, JChem for Excel and Instant JChem.
Reactor is the virtual reaction engine of ChemAxon’s JChem technology. It supports "smart" reactions (generic reaction equations combined with reaction rules) generating chemically feasible products with specified predicted properties. ChemAxon’s generic reaction library can be loaded and easily modified by users to add resolution and further improve the feasibility of reaction products. Reactor is available as a standalone appliaction and is implemented in JChem for Excel and Instant JChem.
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. Standardiser is available as a standalone application and is implemented within JChem for Excel and Instant JChem.
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.
Letting software work together to give efficient flexible workflows is a key feature of ChemAxon’s solutions. All of our desktop applications have Application Programming Interfaces (API) and access the same functionality as the enterprise platform toolkit so you are free to deploy and integrate ensuring a consistent performance and maximum flexibility in planning and deploying your desktop applications and IT infrastructure.
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