ChemBioOffice Suite

ChemBioOffice is a scientifically intelligent, integrated suite of personal productivity tools that enables scientists and researchers to capture, store, retrieve and share data and information on compounds, reactions, materials and their properties. ChemBioOffice helps chemists and biologists to efficiently keep track of their work, visualize and gain a deeper understanding of their results and correlate biological activity with chemical structures.

ChemBioOffice includes the following applications:

·        ChemBioDraw is used by hundreds of thousands of scientists around the world to quickly and effectively draw molecules, reactions and biological entities and pathways for use in documents and electronic lab notebooks; to search databases, now including SciFinder; and to generate accurate names from structures and to predict properties and spectra.

·        ChemBioDraw for Excel adds chemical intelligence to Excel spreadsheets so that chemists can use Excel’s analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships

·        ChemBio3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity.

·        ChemBioFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties and to transform data into easy to understand graphs to easily discern structure-activity relationships

·        CDSL Mobile is a site-deployable version of ChemDraw for iPad for Site Subscription customers

The tight integration that ChemBioOffice provides between these chemistry and biology applications enhances their individual value by enabling cross functional R&D teams to easily share files and documents and therefore communicate and collaborate more effectively.

ChemBioOffice includes optional personal versions of the E-Notebook ELN and Inventory v13 applications for recording experiments and their outcomes and tracking samples and their locations in an integrated suite of scientifically intelligent applications.

ChemBioOffice enhances scientists’ personal productivity and helps them do better science by enabling them to organize and explore their compounds, reactions, materials and associated properties so that data can be turned into actionable information, and decisions can be made with greater confidence.


ChemBioDraw is the drawing tool of choice for chemists and biologists to create publication-ready, scientifically intelligent drawings for use in ELNs, databases and publications and for querying chemical databases, now including SciFinder.

·        Scientists can quickly, effectively and accurately communicate research and ideas using an extensive set of biological templates and drawing objects to create compelling illustrations of cells and pathways, including live chemical objects as needed

·        Chemists can use ChemBioDraw to draw and submit chemical compound and reaction searches direct to SciFinder, with no more time-consuming cutting and pasting.

·        A single drawing solution that both chemists and biologists can trust to accurately handle and represent organic, organometallic and polymeric and biopolymer materials (including amino acids, peptides and DNA and RNA sequences) and to deal with advanced forms of stereochemistry.

·        Scientists save time and increase data accuracy by using ChemBioDraw to predict properties, generate spectra, construct correct IUPAC names, and calculate reaction stoichiometry.

·        Find compounds (structures) of interest more quickly and accurately no matter the type of chemistry/type of structure. Better results from searches and less time spent searching creates more time for science.

·         ChemBioDraw is the world’s leading scientific drawing program. Hundreds of thousands of users benefit from its ease of use, high quality output, robust chemical intelligence, rich set of biological tools and integration in the ChemBioOffice suite and with many third party products.

·         ChemBioDraw includes optional versions of MNova Lite for quick processing of NMR spectra right from the chemist’s desktop. It also includes a chemical scripting language ChemScript for automating structure-related processes and linking to other applications.

 

ChemBioDraw provides chemists and biologists with a rich set of easy to use tools for creating publication ready, scientifically meaningful drawings of molecules, reactions and biological entities and pathways and for generating associated properties, systematic names and spectra.


ChemOffice is a scientifically intelligent, integrated suite of personal productivity tools that helps scientists to efficiently keep track of their work, gain a deeper understanding of their data and produce scientific reports professionally and efficiently.

ChemOffice includes the following applications:

·        ChemDraw is used by hundreds of thousands of scientists around the world to quickly and effectively to draw molecules and reactions for use in documents and electronic lab notebooks, to search databases, and to generate accurate names from structures and to predict properties and spectra.

·        ChemDraw for Excel adds chemical intelligence to Excel spreadsheets so that chemists can use Excel’s analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships

·        Chem3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity

·        ChemFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties.

ChemOffice enhances scientists’ personal productivity and helps them do better science by enabling them to organize and explore their compounds, reactions and associated properties so that data can be turned into actionable information, and decisions can be made with greater confidence.


ChemDraw :The drawing tool of choice for chemists to create publication-ready, scientifically intelligent drawings for use in ELNs, databases and publications and for querying chemical databases.

·        A chemical drawing solution that chemists across multiple chemistry disciplines can trust to accurately handle and represent organic, organometallic and polymeric and biopolymer materials (including amino acids, peptides and DNA and RNA sequences) and to deal with advanced forms of stereochemistry.

·        Chemists able to save time and reduce costs by identifying compounds that are likely to have the desired properties before actually synthesizing them.

·        Chemists can also save time and increase data accuracy using ChemDraw to generate spectra, construct correct IUPAC names, and calculate reaction stoichiometry.

·        A powerful set of tools to handle substructural query types (such as variable points of attachment, Rgroups, ring/chain size, atom/bond/ring types, and generic atoms) ensures that compounds are quickly and accurately located by searches, no matter how they are stored in commercial, public or in-house databases.

·         Continually building on 25 years of experience in cheminformatics, ChemDraw is the world’s leading chemical drawing program. Hundreds of thousands of users benefit from its ease of use, high quality output, robust chemical intelligence, and integration with many third party products. 

·         ChemDraw includes optional versions of STATISTICA Base for more detailed numerical analysis and MNova Lite for processing NMR spectra. It also includes a chemical scripting language ChemScript for automating structure-related processes and linking to other applications. 

·         Chemists are provided with a rich set of easy to use tools for creating publication ready, scientifically meaningful drawings of molecules and reactions and for generating associated properties, systematic names and spectra. 

·         ChemDraw Direct - a pure JavaScript Sketcher

 

·         Already used as the sketcher in McGraw-Hill Education’s Connect Chemistry online courses and in PerkinElmer’s Elements collaborative science platform, ChemDraw Direct is now available for customer deployment in chemically intelligent web browsers and other applications. It comes equipped with all the familiar tools you need to draw structures, reactions, and text, while supporting the same file formats used by ChemDraw Desktop and ChemDraw for iPad


ChemBio3D is a powerful desktop modeling program that enables synthetic chemists and biologists to generate 3D models of small molecules and biochemical compounds and to perform a variety of calculations and actions on the models to explore properties and interactions.

·        Extensive capabilities for 3D modeling, visualization and calculations enable scientists to make better, faster decisions on where to focus their research in order to enhance their productivity and achieve their research goals sooner.

·        Students can use ChemBio3D to achieve a better understanding of the 3D nature of molecules and how their shapes influence their properties

·        ChemBio3D is a cost effective solution that meets the majority of scientists’ needs while providing an interface to other applications when more advanced capabilities are needed

·        Runs on modest desktop systems and does not require high performance computing and high end graphics.

·         ChemBio3D includes optional versions of the semi-empirical modeling program MOPAC, semi-empirical and ab initio molecular orbital calculations with Gaussian and interfaces to the ab initio calculation program GAMESS and the automated docking program AutoDock, which can handle flexible ligands. There is also an interface to CONFLEX for exploring flexible conformations of molecules. Integration with these applications provides researchers with additional functionality over property and other modeling calculations using the ChemBio3D front end. Scientists can compare the results they get from different packages for the same predictions, giving them confidence that the predicted results are of high accuracy.

·         ChemBio3D enables chemists and biologists to explore the three dimensional shapes and properties of small molecules and biochemicals at their desktop. ChemBio3D also allows scientists to save and open standard computational file formats/multiple file formats (such as Gaussian and MOPAC formats) facilitating better communications with molecular modelers and computational chemists.

·         Sharing information with the computational chemistry team provides the scientists with better insights into the shape and active areas of compounds and their properties and promotes more creative participation in the design process.

 

ChemScript is a chemical programming environment that provides access to Ensemble for Chemistry’s underlying chemical intelligence enabling organizations to automate operations such as enforcing preferred structure orientation, normalizing structures, stripping salts, generating molecular fingerprints, and converting file formats.

Organizations can utilize the easy-to-use scripting language to create their own chemistry business rules and execute those rules on their data in a batch mode to ensure data consistency and adherence to corporate standards. Examples include:

·        Enforce standard orientation of structures based on the preferred orientation of a common scaffold; standard representations of functional group structures in chemical data; and removal of salts from a compound based on a pre-defined list of salt fragments.

·        Use ChemDraw-based algorithms to generate high quality structure diagrams from scratch or after programmatic modification of chemical data.

·        Read and write supported file formats (CDX, CDXML, MOL, CHM, SKC, SMILES, etc.) and generate chemical structures from chemical names, and chemical names from chemical structures.

·         Ensemble for Chemistry contains a wealth of robust chemical intelligence and algorithms that drive applications such as ChemBioDraw and E-Notebook. ChemScript delivers access to these powerful capabilities through an easy-to-use programmatic interface so that organizations can take advantage of the underlying functionality to improve data quality and consistency and to save time by automating chemical data processing tasks. 

·         ChemScript can be called from or linked to other Ensemble for Chemistry components so that its power can be used when needed. Examples include automating procedures in ChemBioDraw and enforcing structure-based business rules in Registration. 

·         ChemScript provides programmatic access to Ensemble’s wealth of chemically intelligent algorithms so that organizations can ensure that business rules are adhered to and that chemical manipulations, file conversions and property, name and structure generation task are automated, thereby increasing data quality and consistency and improving productivity.

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