LibGuides: Mobile apps and resources: Chemical Data & Materials

Chemical Data and Materials Apps

Green Lab Notebook
The Green Lab Notebook for iOS allows recording of multistep chemical reactions, using molecular structure, name and stoichiometry as the primary components. When quantities are provided, interconversions are calculated automatically, and green chemistry metrics are shown.
Green solvents
iOS app providing reference cards for chemical solvents, with data regarding 'greenness', safety, health and environmental effects. Based on the American Chemical Society GCI Pharmaceutical Roundtable Solvent Selection Guide, Version 2.0 (April 2011)
Lab solvents
The Lab Solvents android app provides a reference collection of common solvents. The list of solvents can be browsed, selected by category, filtered by health, safety and environmental properties, or sorted by similarity to a provided reference structure.
RSC: Periodic Table
The Royal Society of Chemistry's interactive periodic table for iOS and Android features history, alchemy, podcasts, videos, and data trends across the periodic table.
SAR Table
The SAR Table iOS app is designed for creating tables containing a series of related structures, their activity/property data, and associated text. Structures are represented by scaffolds and substituents, which are combined together to automatically generate a construct molecule.

ChemSpider
Chemspider is a free chemical structure database from the RSC providing access to freely available chemical data
Crystal Works
The 'new version' available via the 'CrystalWorks' header on the CDS/DL homepage is optimised for mobile use. Crystal Works provides crystallographic data from the CSD, ICSD and CrystMet (STFC Daresbury).
Reaction Flash
An iOS app that offers a useful way to learn named reactions, understand their mechanisms and view examples published in peer-reviewed literature.

Reaxys This link opens in a new window
Mobile friendly database, however the structure editor may not work effectively on small devices.
Find substances, reactions, bioactivity data, academic articles & citations, patents, and more. Research chemists can also immediately access the eMolecules ordering page, complete with full quantity, pricing and vendor information, all via the eMolecules red flask availability icon within Reaxys.

SciFinder Mobile
With SciFinder Mobile, you can quickly find, references to published research for a topic of interest, information on a substance of interest, including nomenclature, molecular formula and properties, and references to published research from a scientist or company of interest. You will need to log-in with your SciFinder account.

ChemDoodle
ChemDoodle is a mobile web app, accessible online. You can log in as a guest to access some basic features for free.

For Apple iOS:

Chirys Draw for iPad
Allows you to draw, share and export complex molecular structures and reaction schemes.
Elemental
App allows you to draw chemical structures and reactions, calculate cheminformatics properties and to open and export MOL/RXN files. Includes built in Periodic Table.
Mobile Molecular Datasheet
The Mobile Molecular DataSheet (MMDS) provides a way to view and edit chemical structure diagrams. The app includes access to chemical datasheets for molecular structures, property calculation and the ability to search ChemSpider, PubChem and ChEBI. Individual molecules, or whole datasheets, can be shared using the standard MDL MOL and SDfile formats.
MolPrime+
MolPrime+ is a chemical structure drawing tool that allows you to draw chemical structures, calculate properties based on structures, send structure data via email and open structures from email or web.

For Android:

Ketcher
You can create chemical structures from scratch, open them from a chemical file (mol, mol3000, rxn, rxn3000, smiles, inchi, and cml formats are supported), or import a drawing from a PNG image file. When you are done, you can save the drawing as an RXN chemical file and/or share it via email.
KingDraw Chemical Structure Editor
Includes full support for the drawing of commonly used chemical structures and structural molecular abundance calculation.
MolPrime
Enables you to quickly draw high-quality molecular diagrams.

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