ChemOffice

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The Scientifically Intelligent Productivity Suite for Chemists and Biologists

ChemOffice Professional® offers a broad suite of industry-leading, scientifically intelligent productivity tools that help researchers transform their workflows. Built off of the industry leading chemical drawing application ChemDraw, ChemOffice brings the tools a researcher needs to conduct their science. From 3D structures to predicted and experimental spectral results, cloud based sketching capabilities and access to a modern cloud based documentation and scientific collaboration platform, ChemOffice Professional empowers chemists and biologists alike to visualize and capture their research, efficiently keep track of their work, and gain a deeper understanding of their results and make decisions with greater confidence.

View a short introduction of Signal Notebook Video and ChemDraw Cloud Video that´s both included in the ChemOffice suite.

 

Highlights ChemDraw

  • Create Publication-Ready Drawings Effortlessly with the industry leading ChemDraw application
  • Document, store, retrieve and share your experimental records with access to PerkinElmer Signals™ Notebook Individual Edition, a modern, cloud-based Scientific collaboration platform
  • Search for molecules and reaction in Elsevier® Reaxys® from the comfort of ChemDraw.
  • Look up commercial vendors and pricing information from PerkinElmer’s ChemACX database of over 10M substances
  • Look up a CAS Registry Number through ChemACX.com and return the corresponding chemical structure
  • Manage, curate, and share libraries of HELM monomers within your organization
  • Load and process 1D NMR and LC/GC/MS data directly on your desktop with Mnova ChemDraw Edition
  • Build custom chemically-intelligent web applications with ChemDraw®JavaScript (ChemDraw JS, available with a ChemOffice Site License only)
  • Expand the capabilities of ChemDraw by developing your own JavaScript-based add-ins

Create Publication-Ready Drawings Effortlessly

  • Create structures and reactions effortlessly, consistent with IUPAC, FDA and publication standards. Atoms on molecules can now be numbered following their IUPAC nomenclature name.
  • Convert names into structures, and vice versa including accessing extensive libraries of popular pharmaceutical compounds and commercially available compounds from ChemACX. CAS Registry Numbers from ChemACX records can now be converted into structures
  • Quickly import, create, edit and share complex biomolecules using the HELM toolbar, including import/export using the HELM notation format developed by the Pistoia Alliance
  • No Mouse Needed! Create your structures and reactions as fast as you can type with Enhanced hotkeys
  • Draw biological pathways, including GPCRs, ligand receptors, DNA, lipid bilayers and antibodies using BioDraw
  • Use advanced clean-up tools for molecules, reactions and biopolymers to easily produce attractive and accurate diagrams
  • Ensure that papers are publication-ready with pre-stored publication format guidelines for the major chemical and scientific journals
  • Import/Export using common standards such as SMILES, Mol, SDFile, InChI, HELM, FASTA and CDXML. Improved copy/pasting allows for simpler pasting of SMILES, Mol or InChI into chemical structures

Document, Store, Retrieve and Share your ScienceSignal Notebook

  • Create, manage and share experiments and notebooks with your colleagues, with access to the new scientific collaboration platform,PerkinElmer Signals™ Notebook Individual Edition
  • Draw reaction schemes using a web enabled ChemDraw sketcher,the stoichiometry is calculated for you
  • Add data from any source, of any type, from any browser
  • Free text and chemical search and query help you find your data,whenever, wherever
  • A cloud based solution means no installation, frequent updates,seamless upgrades, no migrations – no overheadAnalyze and Explore Your Reactions
  • Identify similar reactions from the public literature with integration withSciFinder (Additional SciFinder license required)
  • Perform enhanced retrosynthesis analyses on molecules to identify thereactions that are required to create a bond or set of bonds emanatingfrom a single atom
  • Easily manage the numbering of your molecules with dynamic ReactionAuto-numbering
  • Automatically calculate, track and update stoichiometry data forchemical reactionsPredict and Calculate Efficiently and Accurately – Every Time
  • Predict and calculate values for physiochemicall properties important forbioavailability and stability, such as mp, bp, cLogP, pKa, LogD, and LogS
  • Predict 1H and 13C 1D NMR spectra, including varying solventand frequency, update with your own experimental data to improvethe predictivity
  • Explore the 3D shape and properties of compounds with the Chem3D®molecular modeling and protein visualization tool
  • Add chemical intelligence to Microsoft® Excel® spreadsheets. Build andmanipulate chemical structures, compute chemical properties and usestructure and substructure searches to locate and group compounds
  • Extend the capabilities of ChemDraw by developing your ownJavaScript-based add-ins.ChemDraw Everywhere
  • Store, retrieve and edit your ChemDraw documents on the go, usingChemDraw Cloud
  • Web based ChemDraw sketcher allows access from any device
  • All documents are stored, encrypted, and backed-up securely onChemDraw Cloud servers
  • Embed ChemDraw into your custom web applications with ChemDrawJavaScript (with ChemOffice Professional Site License)Figure 2: Create novel, complex biopolymers with the new HELM editor.

What’s New in ChemOffice 18

ChemDraw/Reaxys Integration:
PerkinElmer and Elsevier have established a partnership to provide you with new and unique ways to improve your Research productivity. It is now possible to draw a molecule or a reaction in ChemDraw,and initiate a structure search into Reaxys. You can also choose to use ChemDraw JS as a drawing editor when you use the online Reaxys website.

ChemACX Explorer:
Thanks to the new add-in architecture in ChemDraw, you can now explore chemical properties or supplier information for a given molecule by looking up and retrieving information directly from ChemACX.com, PerkinElmer’s database of over 10M commercially available compounds, and quickly paste structures back into the canvas. This feature is also available through Signals Notebook Individual Edition.

Enhanced Hotkeys:
Building off of the powerful hotkeys already enabled within the application, we have enhanced this capability so now you can truly create molecules and reactions as fast as you can type.

Facilitated chemical structure pasting:
ChemDraw now supports a simplifed, more direct pasting of CDXML and other text formats like SMILES, Mol, InChi, and HELM as a structure using the Edit>Paste (Ctrl+V) menu option, with plain text in the clipboard. You can also copy/paste to and from ChemDraw JS, ChemDraw and MS Office embedded ChemDraw documents without loss of chemical information (requires browser-specific clipboard extension, Windows only).

HELM Editor:
Following the HELM standard, developed by the Pistoia Alliance for the rapid transfer of biomolecules, we have added a custom editor for creating, editing and sharing complex biomolecules. Importing biomolecules using the HELM notation format, editing the biomolecules, creating and using your own custom monomers and exporting out via the HELM format is now easy. The HELM editor is available in ChemOffice Professional and ChemDraw Professional only,

ChemACX Structure from CAS Registry Number:
A new function has been added to look up a CAS RN through ChemACX.com, PerkinElmer’s database of commercially available compounds and return the corresponding chemical structure.

Structure-to-Name and Name-to-Structure improvements:
ChemDraw now supports a new atom numbering scheme, where the numbers are derived from their explicit or implicit values in the IUPAC name, as well as the naming of Enhanced Stereochemistry centers. Names including ‘AND’ and ‘OR’ enhanced stereo centers and absolute stereo centers (in any combination) are now supported.