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[edit] Apps for Chemistry

Last Updated: June 15th 2011

[edit] Green Chemistry

What can be done to raise awareness of the need for apps for this topic --could an app help the world or win a prize [1] Please tells us what apps can help:

1.Green Chemistry: Source Reduction/Prevention of Chemical Hazards Design chemical products to be less hazardous to human health and the environment Use feedstocks and reagents that are less hazardous to human health and the environment Design syntheses and other processes to be less energy and materials intensive (high atom economy, low E-factor) Use feedstocks derived from annually renewable resources or from abundant waste Design chemical products for increased, more facile reuse or recycling 2.Reuse or Recycle Chemicals 3.Treat Chemicals to Render Them Less Hazardous 4.Dispose of Chemicals Properly

  • Green Solvents: Uses data from the ACS Green Chemistry Institute Solvent Selection guide [2]

[edit] Publishers

  • ACS Mobile : Provides up-to-the-minute access to recent peer-reviewed research publications across the Society's research journals, including the Journal of the American Chemical Society. iPhone/iPad
  • RSC Mobile : Provides readers with access to search the latest chemical science from RSC journals from the RSC Publishing Platform. All journals articles can be searched and articles saved for offline viewing iPhone/iPad

[edit] Structure Drawing, Visualization and Chemical Databases

  • Ball & Stick: is a high-quality molecular visualization app for the iPad. The app is perfect for people interested in molecular modeling, structural biology, biochemistry, and computer-aided drug design. iPhone/iPod_Touch/iPad
  • ChemDoodle Mobile: is a calculator for drawn organic structures. ChemDoodle Mobile calculates many properties that are useful for structure and mass spectrum analysis, including an isotopic distribution. It also simulates interactive NMR spectra that are useful for research in the lab. Now you can take the power of ChemDoodle with you everywhere.
  • ChemDoodle Web Components: While not specifically an iPhone/iPad app these web components allow chemical depiction on all platforms
  • Chemjuice: chemical drawing package and chemistry productivity features for the iPhone and iPod touch.
  • ChemJuice Grande: drawing package and more designed to take advantage of the extra real estate on the iPad.
  • ChemMobi: A tool for Chemists, Biochemists and anyone else interested in chemical structures, chemical sourcing, chemical properties and safety information. ChemMobi uses Symyx, ChemSpider and DiscoveryGate web services to access online chemical information.
  • ChemSpider Mobile<shtml hash="252de8c1e94c60ecf55bfb15052aba8b"><img src="" /></shtml>: Mobile search client for the ChemSpider online database. Allows search by structure and text. Results can be viewed in a list on the app, and individual compounds can be examined by jumping to the ChemSpider website using the mobile browser.
  • iKinasePro: Provides access to the most recent release of the Eidogen-Sertanty's Kinase Knowledgebase (KKB), but you can also survey this large database with substructure-, similarity-, and super-similarity searches.
  • Mobile Molecular DataSheet (MMDS): Provides ways to view, edit and organise chemical structures, reactions and auxiliary data in the form of datasheets, and offers numerous methods for communicating chemical data. Allows publication quality diagrams to be drawn quickly on a phone- or tablet-sized form factor.
  • iMolBuilder: An application that can view, edit and build molecules in 3D. Users can easily analyze a molecular structure by rotating, moving, and zooming it.
  • iMolDraw: is an application that can view, edit and build molecules in 2D.
  • iMolview: is an app for the iPhone and iPad that lets you browse protein, DNA, and drug molecules in 3D. The app has a direct link to the Protein Data Bank (PDB) and DrugBank and has a fast and easy to use interface. Touching the molecules via the screen allows you to interact immediately with the 3D structures in a unique way. You can zoom in and out, rotate, spin, pan, and clip the 3D molecules with your finger tips.iPad/iPhone/iPod
  • JSDraw: JSDraw is a javascript chemical structure drawing tool to draw chemical structures (molecules and reactions), biological sequences. It supports all platforms, including iPad/iPhone, Android tablets and phones, and Chromebook.
  • MolPad: MolPad is a chemical structure drawing application for the Android platform. You can draw structures from scratch or load them from ChemSpider and modify them. Structures can be emailed in Molfile format.
  • MolPrime: A chemical structure editor that can transfer to other apps via interprocess communication, or used to search the ChemSpider database.
  • MolSync: A cloud-based tool for chemistry data for iOS devices, which uses Dropbox as its method of storage. Chemical information can be organised, browsed and viewed using this client app, as well as imported and exported via other installed chemistry apps. Closely integrated with the Mobile Molecular DataSheet which allows datasheets to be edited and synchronised with cloud-based files.
  • Mobile Reagents: Provides access to over 5 million molecules and 11 million product variations offered by more than 50 suppliers. The database of reagents can be searched by exact or partial name and formula, or by finger-drawing a complete or partial structure, or by using the camera to take a photograph of a chemical structure and having it automatically converted into a structure search query.
  • Molecules: An application for viewing three-dimensional renderings of molecules and manipulating them using your fingers.
  • iProtein: Provides access to Eidogen-Sertanty's Target Informatics Platform (TIP) that enables researchers with the ability to interrogate the druggable genome from a structural perspective.
  • Reagents: This application details the structures and functions of >80 reagents encountered in typical introductory organic chemistry courses.
  • SAR Table: An editor designed for specifying tables of scaffolds, structures and data. Optimised for entering the structure fragments with minimal redrawing. Automatically generates whole molecules from the constituent fragments. Tables can be rendered as publication quality output.
  • SciFinder Mobile<shtml hash="252de8c1e94c60ecf55bfb15052aba8b"><img src="" /></shtml>: Use a Web-enabled smartphone to access multiple SciFinder features at any time and any place. SciFinder Mobile allows users to explore by research topic, substance ID, author name and company. It also accommodates the review of Keep Me Posted alerts and saved answers.
  • SPRESImobile<shtml hash="252de8c1e94c60ecf55bfb15052aba8b"><img src="" /></shtml>: Collaboratively built by InfoChem GmbH, Eidogen-Sertanty, and Molecular Materials Informatics, SPRESImobile provides access to ChemReact, containing over 400,000 chemical reactions and related references.

[edit] Chemical Calculators

  • Lab Solver: An all-in-one Laboratory calculator that calculates pH, weak acids, buffers, molarity, molar mass, concentration, dilutions, serial dilutions, and gases. iPhone/iPod touch/iPad
  • Buffers: A tool for designing buffer solutions for pH control. Buffers is useful both as a handy reference of available buffering agents and as an accurate, portable buffer calculator for chemical, biochemical and biological research.
  • CalcKit: lets you create your own personalized calculators
  • ChemCal: A basic chemistry concentration (molarity, moles per liter) and dilutions calculator for students of chemistry, biology, biochemistry, and biomedical sciences at school, college or university.
  • ChemiCal: A simple chemistry application that takes a given chemical formula and returns the mass of one mole of that chemical.
  • ChemWeight: A molecular weight calculator oriented toward organic and medicinal chemists.
  • Chem Solver Lite: This app provides easy to access chemistry information and tables as well as equation solvers for almost all general chemistry equations.
  • iChemistry: A chemical equation balancer and stoichiometry calculator.
  • Compounds: Stoichiometry or "grams-to-moles" calculations.
  • iScience: Reference for Maths, Physics and Chemistry. There are about 2500 formulas and images which are all very high-quality graphics,
  • DailyCalcs: Molarity Calculator, Dilution Calculator, Molecular Weight Calculator, Cell Culture Reference Charts, Unit Converter
  • Dilutions: Contains several calculators that help perform serial dilutions, molar and percentage calculations as well as make SDS-Page gels.
  • MolWeight: A simple tool for scientists and students that allows calculation of the molecular weight and other key properties of peptides and oligonucleotides from their sequence. In addition, a calculator is provided for determining the molecular weight of any substance from its chemical formula.
  • LabCal: a utility to calculate the molarity, to convert gram and mole and to compute dilutions of stock solutions
  • LabCalPro: enhanced utility to calculate the molarity, to convert gram and mole and to compute dilutions of stock solutions Link
  • Solutions: Whether you are a chemist, biologist or student, no one likes the calculations needed before making chemical solutions
  • GC Calculator: Instantly and accurately determine pressures and flows through open tubular capillary columns.
  • LC Calculator: Calculate flow rate and back pressure under a variety of conditions and column dimensions allowing you to explore “what if” scenarios.

[edit] Chemical Look-Ups

  • Chemistry Formulas: This application can provide every possible formulas for anyone who study in AP Chemistry, including Common ions and their charges, Equations and Constants, Chemistry Fundamentals, Atoms and Subatomic Particles, Molecular mass, Molecular formula and empirical formula, Balancing Chemical equations, Temperature conversion, Ideal Gas Laws.
  • The Chemical Touch: Explore the properties of the elements, the standard amino acids, and the nucleobases
  • Chemical Lookups: Chemistry Dictionary contains chemistry of the Elements and electrochemistry info
  • Living Molecules<shtml hash="252de8c1e94c60ecf55bfb15052aba8b"><img src="" /></shtml>: Capture molecular glyphs using the camera, which translate into chemical documents (molecules, reactions, collections thereof), or create new glyphs for use on posters or manuscripts.
  • Nice Molecules: is an app to discover the chemical molecules that are all around us and are the basis of life, that you hear about in the news, that have played in important role in history or in industrial processes.
  • Organic Chemistry Express: Organic Chemistry Express is the most comprehensive reference tool 800 organic compounds, 400 organic reactions, 200 reaction mechanism.
  • The Elements: beautifully crafted periodic table with full description of all elements.
  • Alpha: Get answers. Access expert knowledge. Wherever you are. Whenever you need it.

[edit] Chemical Compounds

  • Approved Drugs: A selection of FDA-approved drugs that can be browsed, sorted, filtered, searched by name or structural similarity, and viewed in 2D and 3D.
  • Lab Solvents: A browseable list of common solvents, with physical, health, safety & environment properties.
  • Nice Molecules: An app to discover the chemical molecules that are all around us and are the basis of life, that you hear about in the news, that have played in important role in history or in industrial processes.
  • TB Mobile: Over 700 molecules with TB targets, displays molecule structure and links to the bioinformatics data and uses similarity search to infer potential targets for new compounds.

[edit] Chemical Reactions

  • Name Reactions Lite: This is the free version of Named Reactions Pro, which contains over 250 organic reactions
  • Reaction101: A chemical reaction editor with features for reaction balancing. A list of common named reactions is available for use as starting templates. Individual reaction components can be easily searched by name, formula, structure or structure similarity methods.
  • Yield101: The companion app for Reaction101, which adds quantity information to reactions. Enter any data that is available, e.g. mass, molar mass, volume, density, concentration or yield. The app will use molecular weight (calculated from structures) and stoichiometry to derive any of the missing quantities, saving laborious calculations and manual checking.
  • SPRESImobile<shtml hash="252de8c1e94c60ecf55bfb15052aba8b"><img src="" /></shtml>: Collaboratively built by InfoChem GmbH, Eidogen-Sertanty, and Molecular Materials Informatics, SPRESImobile provides access to ChemReact, containing over 400,000 chemical reactions and related references.

[edit] Chemical Safety

  • NIOSH Chemical Hazards: In addition to the complete contents of the pocket guide it includes the following enhanced functionality: - Searchable Index of Chemical Names, Synonyms and Trade Names - Searchable index of CAS Numbers - Searchable index of RTECS Numbers.

[edit] Analytical Data

  • IR Spec Check: Designed for organic chemists and students to quickly analyze absorbance peaks from an infrared spectroscopy graph. IR Spec Check recognizes over 75 absorbance frequencies and matches frequencies with possible R-groups.
  • Isotopia: An isotopic distribution calculator and plotter, a molecular mass calculator and an isotopes database
  • Insensitive: (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education)
  • JSpecView: JSpecView is an Open Source Java project for applications (Win, Mac, Linux, Android) to display JCAMP-DX spectra Link
  • NMR Isotopes: Reference data for all NMR-active isotopes in your pocket.
  • TLC Timer: This app helps keeping track of TLC times and to document the procedure and also to capture images

[edit] Theoretical Chemistry

  • Atom in a box: an aid for visualizing the Hydrogenic atomic orbitals, the three-dimensional states that the electron occupies in Hydrogen, a prime and otherwise unwieldy example of Quantum Mechanics. It interactively shows what the Hydrogen atom "looks" like. iPhone/iPod_Touch
  • MolSim: Real-time 2D molecular simulation of spherical atoms in your pocket... Explore the phase diagram by varying density and temperature.

[edit] Periodic Tables

See also Chemjuice which contains a periodic table with links to the periodic table of elements.

  • EleMints: a totally interactive Periodic Table for the iPhone and iPod Touch. However, it not only offers a Periodic Table, but also a Plot Graph, Element listing, Molar Mass Calculator.
  • Mild EleMints 2: Mild EleMints 2 is the interactive Periodic Table for the iPad. It is the free version of EleMints, which not only offers a Periodic Table, but also a Plot Graph, Element listing, Electron Diagram and a wealth of information on every element.
  • Merck Periodic Table: Everything you need to know about the chemical elements From classification to properties to their history of discovery. Available in English, German, French, and Spanish
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