Macs in Chemistry

Insanely Great Science

MMDS UI updated

One of the challenges of creating apps for mobile devices is making functionality available via the user interface and the limited real estate. The UI of the mobile molecular data sheet (MMDS) has been updated to addresses a minor but persistent inconvenience: previously, the main command bank had to be open in order to exit from any of the editor panels.

UI_change

There is a listing of mobile science apps here.

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Reagents added to mobile science apps

Reagents, This application details the structures and functions of >80 reagents encountered in typical introductory organic chemistry courses.

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Siri voice control of cloud computing

In this screencast BioTeam shows how it can orchestrate an Accelrys Pipeline Pilot experiment running on a remote cloud (BT Compute) via Apple iOS Siri voice control.

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ODDT Released

Open Drug Discovery Teams (ODDT) is now available on the iTunes Store.

The idea behind ODDT is that there are many rare of neglected diseases that might benefit from collaborative efforts from scientists from multiple disciplines, ODDT is an application that supports informal interactions, provides a means to explore relevant information in a flipboard like interface in particular information tagged by other scientists with similar interests. The image below gives you an idea of the topics currently discussed.

oddt

This slideshow explains the genesis of the project, and how it has evolved.

So why not fire up iTunes and download the free app and get involved?

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JSDraw2 interface updated for touchscreens

JSDraw2 interface is changed a lot to fit the touch user experience: 1. The default button sizes are much bigger for fingers to touch 2. For smaller screen size, the toolbar buttons are smartly grouped and shrinked.  So even for phone screens, the JSDraw toobar is much easier to use 3. Zooming, moving, rotating and undo/redo gestures are fully implemented

JSDraw2-phone

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Mobile Molecular Datasheet has been updated

The Mobile Molecular DataSheet (MMDS) has been updated. Two major usability enhancements:

(1) Additional tool banks on the left and right side of the sketcher provide simplified drawing tools that are more familiar to users of desktop chemical drawing software.

(2) A tooltip system provides tips, live demonstrations and links to documentation.

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SPRESImobile added

SPRESImobile provides direct access to ChemReact, a subset of the SPRESI structure and reaction database, which contains more than 400,000 unique reaction types and the related references. SPRESImobile allows searching by name and structure queries, exact, substructure and All-in-one (Flex) search. There is a list of iOS applications on the mobile science page.

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Brain Lab

I’ve just added Brain Lab to the list of mobile science applications Brain Lab is a brain cell simulator, currently it offers

  1. A passive integrate and fire model
  2. A full Hodgkin-Huxley model with sodium and potassium channels
  3. A Library to learn more about brain science

Brain Lab offers real scientific brain cell models that can be used by anyone, no matter if you are a student, a scientist, or someone who is just interested in brain science. To carry out your experiments, they have set up a Lab for you with all the necessary equipment. If you need to brush up your brain science knowledge or look up a specific technical term, you can go to your Library and read it up. 

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Open Drug Discovery Teams iOS app alpha test

The Open Drug Discovery Teams (ODDT) project is a mobile app primarily intended as a research topic aggregator of open science data integrated from various sources on the internet. It exists to facilitate interdisciplinary teamwork and to relieve the user from data overload. Initial research topics include areas of chemistry and adjacent molecule-oriented biomedical sciences, with an emphasis on those which are most amenable to open research at present. The ODDT project uses a free mobile app for iOS-based devices (iPhone, iPod and iPad) as the hub. The app has a Flipboard-inspired interface, and serverside infrastructure for hosting data and value added services. The project is open to participation from anyone, and much of the content is derived from public sources but is amenable to commercial data input and they are now looking for alpha testers. One of the key components is a back-end server that is in charge of monitoring the appearance of tweets with certain hash tags (#tuberculosis, #malaria, #hivaids, #huntingtons, #sanfilipposyndrome and #greenchemistry).

There is a screencast here to give you an idea of the functionality.

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VVI Graph SDK

VVI® today announced the availability of Vvidget Code, its Graph SDK for iPhone, iPad and Mac, version 10.7.6, bringing the following improvements:

The features are extensive and shown by the Graph app on the iTunes and Mac App Store. All the graphs in those applications are now available in the new version. See the links: Graph for iPhone, iPad and iPod touch and Graph for Mac to install those applications and test the Vvidget Code Graph SDK.

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iOS Simulator

A great tip from Dan at Dotmatics, if you want to know how your website might look on an iPhone/iPad use the iOS Simulator in the developers tools.

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iOS:Chart

A chart & graph library for iOS and Mac OS X developers.

  • Fully native Objective-C library for direct, easy use in any iOS XCode project.
  • Several samples and demo projects to make integration and getting started a snap.
  • Over 50 powerful graph types, including bar, line, area, pie, scatter, bubble and waterfall.
  • An easy-to-use yet powerful object oriented API gives you full control over your charts with a minimum of effort.
  • Real 3D graphs with controls to zoom, pan, rotate and skew!
  • Adjust and control every element on every chart. Multiple Y-axis, depth effects, reference lines, scale controls and much more.
  • The full power of the PGSDK (charting library of choice for MicroStrategy, IBM/Cognos and many more) now for your mobile application!

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Added 3 apps to Mobile Science Page

iFormulas is a clean, simple, easy to use mathematical formula reference guide. Formulas : Algebra, Calculus, Chemistry, Geometry and Trigonometry. Over 380 formulas, definitions, laws, properties, etc.

MyCalculator is an innovative 2D and 3D graphing calculator featuring One Touch Graphing™ and an innovative memory system to store and recall answers. Just touch the answer bar to store numbers in multiple memory slots.

MathStudio, formerly SpaceTime, is the most comprehensive math app available for iPhone and iPad. Whether you need a simple calculator to do your finances or a replacement for your TI graphing calculator,

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MolPrime added to mobile science page

MolPrime is a chemical structure drawing tool based on the unique sketcher from the Mobile Molecular DataSheet

Added to the Mobile Science Page.

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Chirys Draw added to mobile science page

Chirys Draw is an innovative, best-in-class application for drawing publication-quality molecular structures and reactions. Designed from the ground up for the iPad, Chirys Draw takes advantage of unique multi-touch capabilities to make drawing molecular structures and reactions easy and accurate. Chirys™ Sketch is an innovative, best-in-class application for drawing publication-quality molecular structures and reactions. Designed and built from Chirys Draw, the iPad version, Chirys Sketch takes advantage of unique multi-touch capabilities to make drawing molecular structures easy and accurate.

There are many more applications on the mobile science page.

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Added CMol to mobile science page

CMol is a molecular viewer designed specifically for the iPad, iPhone and iPod touch, offering a more powerful system for displaying and understanding biological molecules than has yet been seen on any iOS device.

There are many more applications on the mobile science page.

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Recent MMDS improvements: drawing and renderinge

The Mobile Molecular DataSheet (MMDS) v1.3.7 has had a bit of attention to the sketching interface, and now makes available the most commonly used small ring templates from the context menu:

There is a page of mobile apps for science here

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RSC Mobile

RSC Mobile is a mobile app which provides up-to-the-minute access to RSC journals. Full text HTML and PDF access via wireless networks for subscribing institutions/organisations. The latest news from the RSC Publishing Platform. Ability to save articles for offline reading - and to save the abstract for articles where the reader doesn't have full text access. Sharing of content via email, Twitter or Facebook.

There is a page of mobile apps for science here

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SAR Table added to mobile science page

SAR Table 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.

There is a page of mobile apps for science here
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Mobile apps for chemistry in the world of drug discovery

An extensive review of mobile apps that might be useful for scientists.

Mobile apps for chemistry in the world of drug discovery

Antony J. Williams, Sean Ekins, Alex M. Clark, J. James Jack, Richard L. Apodaca
Drug Discovery Today
Volume 16, Issues 21-22, November 2011, Pages 928-939

Mobile hardware and software technology continues to evolve very rapidly and presents drug discovery scientists with new platforms for accessing data and performing data analysis. Smartphones and tablet computers can now be used to perform many of the operations previously addressed by laptops or desktop computers. Although the smaller screen sizes and requirements for touch-screen manipulation can present user-interface design challenges, especially with chemistry-related applications, these limitations are driving innovative solutions. In this early review of the topic, we collectively present our diverse experiences as software developer, chemistry database expert and naïve user, in terms of what mobile platforms could provide to the drug discovery chemist in the way of applications in the future as this disruptive technology takes off.


There is a page of
mobile apps for science here
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Siri knows Chemistry

Siri knows Chemistry Read More...
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Visual model building on your iPad

Visual model building on your iPad Read More...
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Mobile apps for chemistry in the world of drug discovery

Mobile apps for chemistry in the world of drug discovery Read More...
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Mobile Science

Added a presentation to the Mobile Science Page. Read More...
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ChemSpider Mobile

ChemSpider Mobile allows you to search the ChemSpider chemical database Read More...
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Mobile Science Updates

Mobile Science page updated Read More...
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Mobile Science Page Updated

Mobile Science Page Updated Read More...
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Data Roaming

Since people will soon be embarking on their summer travels I thought I’d remind people to turn off data roaming whilst abroad Read More...
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Updated Mobile Science Page

Updated the mobile science page. Read More...
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Smart Phones, a Powerful Tool in the Chemistry Classroom

Publication on the use of smart phones in the classroom. Read More...
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ChemDoodle Mobile

ChemDoodle Mobile a calculator for drawn organic structures. Read More...
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iMolview

iMolview is an app for the iPhone and iPad that lets you browse protein, DNA, and drug molecules in 3D Read More...
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Yield101 added to mobile science page

Yield101 added to mobile science page Read More...
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Designing Cheminformatics apps for the iPhone

Basic primitives for molecular diagram sketching Read More...
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MObile Reagents Updated

MObile REagents (MORE) updated Read More...
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Reaction101

Reaction App for iPhone/iPad etc. Read More...
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Mobile Science

I’ve updated the mobile science page with a couple of new applications. Read More...
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iPhone apps for Geologists

I’ve updated the mobile science page adding a selection of applications that would be useful to geologists. Read More...
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Mobile Science Page Updated

Mobile Science Page Updated Read More...
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Reviews of iPad apps for scientists

Reviews of iPad apps for scientists Read More...
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MMDS and chemical reactions

MMDS and chemical reactions Read More...
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Mobile Science Page Updated

Mobile Science Page Updated Read More...
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Another iPhone/iPad app

MObile REagents (MORE) is a scientific app that gives you access to ~680,000 reagents for organic synthesis. Read More...
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Mobile Science Page Updated

Updated the Mobile Science Page.
iResearch was created to allow the user to read American Institute of Physics article content offline and store articles locally. The application caches all content that it receives, and does require a wireless or wifi connection to obtain the content initially and to subsequently update that content.
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DataAnalysis

Added DataAnalysis a general purpose iPad App for the plotting and analysis Read More...
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Graphing apps for iPhone/iPad

I’ve just updated the Mobile Science page of scientific applications for iPad/iPhone/iPod Touch. I’ve added a collection of graphing/plotting applications from VVI, these include Graph, Scatter Graph, Least squares and Vvidget. Read More...
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Insensitive Updated

Updated apps for the iPhone/iPad. Read More...
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Developing Apps for Mobile Science

The latest issue of Journal of Cheminformatics has a paper by Alex Clark describing the work that went into creating a chemistry application for mobile devices including iPad, iPhone and Blackberry. Read More...
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MMDS Updated

The iOS (iPhone, iPad, iPod) version of the Mobile Molecular DataSheet version 1.1 is available on the iTunes App Store. Read More...
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Mobile Science Updated

I’ve updated the Mobile Science page of scientific applications for iPad/iPhone/iPod Touch.

Read More...
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Math Touch added

Math Touch added to Mobile Science Page.

Read More...
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More Science Apps for iPhone/iPad

I’ve updated the Mobile Science page of scientific applications for iPad/iPhone/iPod Touch.

Read More...
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iProtein

Added iProtein to the mobile science page Read More...
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iOS overtakes Linux

The latest marketshare data is in from Net Applications, perhaps the most notable aspect is that they have decided to now merge the data from iPad, iPhone and iPod touch into a single category "iOS". The combined iOS numbers now account for more than 1% of the online browsing share and overtake Linux to become the third most common OS behind Windows (91%) and Mac (5%). I’ve noted the rise of mobile browsing previously and it now accounts for nearly 3% marketshare up from 1% a year ago.
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MMDS Website

The Molecular Materials Informatics company website has been redesigned. Read More...
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The Mobile Molecular DataSheet is released on iPhone

The Mobile Molecular DataSheet (MMDS) provides a way to view and edit chemical structure diagrams on an iPhone, iPod or iPad Read More...
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Mobile web browsing continues to grow

Latest market share info from Net Applications.

Read More...
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iPhone Development Books

Forthcoming iPhone 4 Development Books. Read More...
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iOS4 Update

iPhone software update fixes HTML5/canvas text rendering and animations run smoothly for ChemDoodle Web components. Read More...
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Mobilizing Chemistry - Chemistry in Our Hands

Antony Williams (aka ChemSpiderman) has published a talk he gave on “Mobilizing Chemistry - Chemistry in Our Hands” on slideshare Read More...
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iPad market share

The May online market share data from Net Applications. Read More...
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Mobile Science

Updated the Mobile Science page of apps for iPhone and iPad Read More...
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Scientific Apps for iPhone and iPad

I created a list of scientific applications available for the iPhone and iPad. Read More...
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iPhone to iPad development

Discussion on iPhone to iPad development Read More...
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Mobile Chemistry

An article for Chemistry World on the way that chemistry is being displayed on mobile platforms Read More...
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Papers for the iPad

Papers for the iPad Read More...
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iPhone Apps for Chemistry

Updated list of Chemistry application for the iPhone (and I assume iPad?). Read More...
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iPhone Apps

A collection of iPhone apps that might be of interest. Read More...
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TouchPlot for iPhone Updated

TouchPlot 4.0 is a grapher application for the iPhone and iPod touch, that allows users to create interactive graphs and plots directly on the iPhone Read More...
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iPhone Programming Course

The hugely successful Stanford iPhone programming course is running again. Read More...
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NIOSH Chemical Hazards IPhone application

The NIOSH Chemical Hazards application is an IPhone implementation of the NIOSH Pocket Guide to Chemical Safety. Read More...
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ChemMobi:- Chem app for iPhone

Uses Symyx, ChemSpider and Discoverygate webservices to access online chemical information. Read More...
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Stanford iPhone course downloaded 1 million times.

The Stanford iPhone programming course has now been downloaded from iTunes 1 million times. Read More...
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iPhone Development

Offers on iPhone development books. Read More...
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iPhone Course

Auditors group for the iPhone Application Development course in Stanford. Read More...
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iPhone Development

iPhone programing course now online. Read More...
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Compounds for iPhone

Compounds for iPhone Read More...
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iPhone SDK

iPhone SDK has been updated Read More...
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Grafly

New iPhone application. Read More...
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iPhone Application

Solutions another iPhone application. Read More...
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News Snippets

Just back from vacation, here are few snippets of news. Read More...
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