Chem Software

• Chemical Structure Drawing and Analysis

  ChemDraw is an industry standard for efficient and accurate chemical structure drawing and publication. Advanced drawing features include relative stereochemistry, support for chemical reactions & query features for database searching, and customizable templates & Nicknames. ChemDraw also has a number of analytical features such as 13C and 1H NMR spectra prediction, stoichiometry analysis, a TLC plate tool, structure cleanup, chemical structure naming and property prediction. ChemDraw Ultra also includes ChemDraw/Excel which allows you to display and perform calculations on up to 1,400 chemical structures at a time in Microsoft Excel.

• 3D Molecular Modeling on the Desktop

  Chem3D provides affordable building, visualization, and computation tools on the desktop. For macromolecules, Chem3D can render cartoon depictions of proteins and nucleic acids making it possible to carry out state-of-the-art protein visualization on the desktop. It can be used to display many types of molecular display types, surfaces and molecular orbitals. Chem3D has been a preferred front end for Quantum and Semi-empirical codes for many years. The latest release includes up-to-date interfaces for the GAMESS, Gaussian and MOPAC interfaces as well as a new interface Schrödinger’s Jaguar code.

• Database Search and Management

  ChemFinder Ultra allows for the organization and storing of structures and data from various sources. You can set up your own forms and do searches based on structure (substructure, full match, identity, similarity, or formula), text, numeric data ranges or several criteria at once. The data can be sorted or filtered based on any of these criteria. ChemFinder also has the ability to calculate chemical properties for the structures in the database. If you choose, the data can be set up on a central database for access by many users over a network. ChemFinder can also be used to search several databases distributed by CambridgeSoft.

• Desktop Inventory Management

  Inventory Ultra allows users to manage their chemical and non-chemical inventory data. Inventory is a complete desktop tool which provides an electronic representation of your site’s physical inventory and a desktop tool for sourcing and purchasing. Users can easily create, edit, move and delete containers, and the cascading location model allows support of locations as general or specific as is desired. Users can search over their physical inventory by chemical structure, text fields, dates or numerical fields. Users can also generate and print bar codes for each container and create customized inventory reports.

• Desktop Knowledge Management

  E-Notebook Desktop allows research scientists to electronically record their daily experiments and results. Notebook pages consist of a ChemDraw drawings, stoichiometry grids, Microsoft Excel spreadsheets, Microsoft Word & PowerPoint documents, and spectral data. The notebook can be searched by text and structure. Researchers can to share data as well as maintain archive records.

• Scientific Databases

  The Merck Index database is a structure-searchable encyclopedia of chemicals, drugs, and biologicals. More than 10,000 monographs on single substances and related groups of compounds cover chemical, generic, and brand names; registry numbers; physical data and literature references; structures and stereochemistry; toxicity information; and therapeutic uses.

  Organic Syntheses is an electronic version of the annual and collective volumes of tested, peer-reviewed synthesis procedures published since 1921 by the Organic Syntheses Board of Directors. It facilitates location of desired procedures through structural queries, text queries, combinations, and by browsing the Organic Syntheses Reaction Guide.

  Ashgate Drugs Synonyms and Properties covers over 8,000 drug substances currently in common use worldwide. Edited by world-renowned authority in drug design and chemical information G.W.A. Milne, this volume fills an important gap in drug information. Data that can be searched includes chemical structures, synonyms, CAS Registry Numbers, the European EINECS numbers, the Merck Index (Thirteenth Edition) monograph numbers, physical properties, biological activities, and intended applications. This electronic edition adds almost 70,000 synonyms and trade names that did not fit into the printed volume.

  ChemACX provides structure searchable chemical sourcing information for 500 catalogs from leading chemical suppliers. ChemACX-SC offers hundreds of thousands of compounds from suppliers of screening compounds and libraries. The ChemACX database is equipped with a ready-to-use shopping cart system permitting preferred supplier information and installation-specific pricing to be added. Full purchasing authorization and accounting features are included.

  ChemINDEX is a directory of over 70,000 common molecules, listing chemical structure, registry numbers, synonyms, physical properties, and links to Internet sources of further information.

  Additional Chemical Databases from leading chemical information suppliers such as Derwent, ISI, InfoChem, and Current Drugs are also available in ChemFinder format. These databases cover information about patents, reactions, current drug development, and other topics.

Bio Software

• Biological Pathway Drawing

  BioDraw provides a drawing tool for biological pathways. It includes common pathway elements (membranes, DNA, enzymes, receptors, etc.) which are built in and the ability to import other elements. One of the advantages of BioDraw over alternative pathways drawing tools is the integrated power of ChemDraw’s chemical intelligence. BioDraw also includes a new pallet of flexible arrow tools. You can now completely customize arrows and arrowheads for use in complex biological pathways drawings. BioDraw pathways can be easily imported for use in presentations and publications.

• Desktop Biological Informatics

  BioAssay Ultra allows flexible storage, retrieval, and analysis of biological data on the Desktop. The software supports the quick set-up of biological models. Data are presented with easily designed Excel templates, and can be queried by structure or text using ChemFinder.

  BioViz Ultra allows users to graphically identify trends and correlate biological activity with chemical structures. It also provides statistical analysis and a wide variety of flexible options for plotting. BioViz transforms database information into easy to understand graphics, allowing users to discern structure-activity relationships more easily. With BioViz, it is also easy to retrieve or search for a set of compounds, choose the data you wish to see, whether it is biological test results in Oracle tables or physical property values. BioViz will generate an interactive window showing a scatterplot, histogram, and other useful graphics.

Chem & Bio Software

• Chemical Structure and Biological Pathways Drawing and Analysis

  ChemBioDraw is an industry standard for efficient and accurate chemical structure drawing and publication. Advanced chemistry drawing features include relative stereochemistry, support for chemical reactions & query features for database searching, and customizable templates & Nicknames. ChemBioDraw also provides an integrated drawing tool for biological pathways. It includes common pathway elements (membranes, DNA, enzymes, receptors, etc.) which are built in and the ability to import other elements. One of the advantages of BioDraw over alternative pathways drawing tools is the integrated power of ChemDraw’s chemical intelligence. BioDraw also includes a new pallet of flexible arrow tools. You can completely customize arrows and arrowheads for use in complex biological pathways drawings. ChemBioDraw also has a number of analytical features such as 13C and 1H NMR spectra prediction, stoichiometry analysis, a TLC plate tool, structure cleanup, chemical structure naming and property prediction.

• 3D Molecular Modeling on the Desktop

  ChemBio3D provides affordable building, visualization, and computation tools on the desktop. ChemBio3D can be used to display many types of molecular surfaces. For macromolecules, Chem3D can render cartoon depictions of proteins and nucleic acids making it possible to carry out state-of-the-art protein visualization on the desktop. The Chem3D Model Explorer allows users to fine tune the display characteristics of each building block of a protein or small molecule. ChemBio3D also provides the ability to automatically display hydrogen bonds in 3D as well as group labels for groups such as amino acid residues in the 3D view. In the latest version, you can also generate and display partial and transparent surfaces for protein active sites.

• Desktop Knowledge Management

  E-Notebook Desktop allows research scientists to electronically record their daily experiments and results. Notebook pages consist of a ChemBioDraw chemical structure and biological pathway drawings, stoichiometry grids, Microsoft Excel spreadsheets, Microsoft Word & PowerPoint documents, and spectral data. The notebook can be searched by text and structure. Researchers can to share data as well as maintain archive records.

• Desktop Chem & Bio Informatics

  ChemBioViz Ultra allows users to graphically identify trends and correlate biological activity with chemical structures. It also provides statistical analysis and a wide variety of flexible options for plotting. ChemBioViz transforms database information into easy to understand graphics, allowing users to discern structure-activity relationships more easily. With ChemBioViz, it is also easy to retrieve or search for a set of compounds, choose the data you wish to see, whether it is biological test results in Oracle tables or physical property values. ChemBioViz will generate an interactive window showing a scatterplot, histogram, and other useful graphics.