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Elemental

Elemental

Chemical drawing for the web, tablet and PC

Dotmatics Elemental is a chemical sketcher that enable scientists to draw, edit and save structures and reactions, and calculate properties.

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What it does

  • Sketch molecules, reactions and structure queries
  • Calculate chemical properties
  • Available as a fully-featured desktop application, iOS app or lightweight JavaScript plugin for sketching in-line in webpages

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Benefits

  • Accessible – the plug-in is web-based and browser-agnostic for easy deployment on-premise or in-the-cloud 
  • Integrated:
    • Plugin and desktop versions work with all Dotmatics applications that require a sketcher to enter queries, structures or reactions including Dotmatics Browser, Studies Notebook, Registration and Dotmatics for Office
    • iOS app can upload structures using Dotmatics SDMS to make them available in Studies Notebook

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Key Features

All versions

  • Sketch molecules, reactions and structure queries
  • Standard editor functionality, including copy, paste, delete, undo, select and move
  • Export options include molfile, rxnfile, SMILES and SMARTS formats
  • Easy manipulation of structures such as move, rotate, flip, torsion and clean
  • Automatically flags violations of allowed valences
  • Incorporates keyboard short-cuts to expedite common operations

Dotmatics Elemental Draw (Desktop)

  • Easily create structures with R groups
  • Speed up drawing with predesigned or user-defined templates
  • Save and retrieve SD files and molfiles
  • Incorporate sketches in Microsoft Office documents
  • Print to PDF
  • Multiple tabs to work with multiple structures/reactions simultaneously
  • East structure clean-up function
  • Multiple redo/undo
  • Annotate reactions or structures with free text
  • Calculate properties of the molecules as they are drawn

Dotmatics Elemental Plugin

  • JavaScript plugin designed to sketch chemical structures
  • Enable chemical queries and browsing in web applications, such as ChemSpider(www.chemspider.com), Reaxys and Dotmatics applications

Dotmatics Elemental App (iOS)

Dotmatics Elemental DB (iOS)

  • Elemental DB is an iOS application that provides access to the structure database from ChEMBL and is searchable using structure-queries defined in the Elemental App
  • Link to iTunes App Store