Mobile Chemistry and the SciMobileApps Wiki OCTOBER 2011 VERSION

Mobile Chemistry and the SciMobileApps Wiki Antony Williams, PhD Version: October 22 nd 2011

Mobilizing Chemistry
We live in the time of “Generation App”
Mobile devices, apps, cloud-based services and databases provide “Chemistry in the Hand”
Hundreds of apps for multiple mobile devices are appearing: iOS (iPhone, iPads etc), Android, Blackberry etc.
Publishers deliver content, Databases provide mobile access and hand-based calculations are expanding in number and diversity
It’s not just Chemistry…Science has gone Mobile..
SciMobileApps Wiki indexes Mobile Science Apps

This Presentation….segregates
Publisher apps
Accessing publications
eBooks
Theoretical chemistry
Data and chemical dictionaries
Chemical calculators
Safety and Hazards
Chemical Reactions
Structure drawing apps
Analytical chemistry
Biomolecules

Scientific Publishers Apps
Scientific publishers release apps to:
Provide mobile access to content
Search and deliver content to its registered users and engage other possible users
Greater accessibility means greater readership
Revenue generation UNLIKELY via sales of the Apps themselves. Revenue comes from the content – you don’t pay a website, you pay for what’s contained in the website (the content)

ACS Mobile iPod, iPhone, iPad and Android: http://tinyurl.com/6fssajt

Scientific Publisher Apps (Nature) http://www.nature.com/mobileapps/

SciVerse ScienceDirect http://tinyurl.com/3czq37y

Sciverse Scopus http://www.info.sciverse.com/scopus

Science App http://www.aaas.org/news/releases/2010/1108science_app.shtml

PNAS http://tinyurl.com/3fm94op

Journal of Biological Chemistry http://tinyurl.com/3uzwaeb

RSC Mobile iPod, iPhone & iPad: http://tinyurl.com/69phsms

Delivering Content to App http://www.digitalpc.co.uk/mobile/

Accessing Publications
Various apps are available for accessing and searching across the literature
CAS’ Scifinder Mobile
Accessing PubMed
Apps are available for managing your own publication library – integrated to desktop applications
Mendeley
Papers

SciFinder Mobile http://www.cas.org/products/scifindr/sfmobile/

PubMed on Tap iPhone and iPad: http://tinyurl.com/256zgnw

Managing Papers http://www.mekentosj.com/papers/iphone/

Papers http://www.mekentosj.com/papers/iphone/

Mendeley on iPhone http://tinyurl.com/3bv5g5m

eBooks iPad: http://tinyurl.com/yecg69d
Mobile devices are ideal platforms to deliver “books” with the capabilities of “apps”
An ideal example of what is possible with eBooks is Theodore Gray’s “The Elements”
An eBook with rotatable objects, 3D stereoscopic images, videos, linked to the Wolfram Alpha computational engine and even a song…

Wikipedia Chemistry

Theoretical Chemistry
Only a small number of theoretical chemistry apps are available

Atom in a Box iPod, iPhone and iPad: http://tinyurl.com/69mht5f

Molsim iPod, iPhone and iPad: http :// tinyurl.com/4yt7bn4

Data and Chemical Dictionaries
Apps are ideal for delivering reference data
Public domain data has been assembled into small collections and delivered via app interfaces
Data collections include
Elements
Lists of chemicals
Drugs and Medications

Wikipedia Chemistry http://tinyurl.com/3t2hqzu

EleMints http://tinyurl.com/3pbuk7t

Chemistry Dictionary iOS: http://tinyurl.com/3lecqo3

Organic Compound Bible iPhone and iPad: http://tinyurl.com/6eyvckj

Drugs & Medications (A-Z) iOS: http://tinyurl.com/3dm95jw

Epocrates http://tinyurl.com/y7mjf5a

Chemical Calculators
Basic chemical calculations are simple to deliver
Mass calculations
Molarity
Volume
pH

LabCalPro iPhone: http://tinyurl.com/3kj7yun

DailyCalcs http:// tinyurl.com/6yw7jro

Buffers http:// tinyurl.com/6k7vk9z

Chemical Safety and Hazards
Chemical safety data is simply data tables
Most safety/hazard data are public domain and simply rewrapped for app-based delivery

NIOSH Chemical Hazards iPhone and iPad: http://tinyurl.com/6xjdjqk

Chemical Reactions
Chemical reactions are very amenable to serving up on mobile applications
What is available now?
Teaching basics of chemical reactions
Look-ups against reaction databases
Reaction mechanisms

Named Reactions http://www.synthetiqsolutions.com/named-reactions/

Organic Named Reactions http://tinyurl.com/3d54fvv

ReactionFlash http://tinyurl.com/3nt54w6

Reaction101 http://molmatinf.com/reaction101.html

Yield 101 http://molmatinf.com/yield101.html

Mobile Structure Drawing Apps
Why draw structures?
Structure entry as an entry point to:
Calculations (formula, mass)
Predictions (local or server-based)
Systematic name generation, logP, pKa, NMR prediction, etc.
Database lookup
On device dictionaries (because space doesn’t matter!)
Internet-hosted databases (because the latest content does matter)

Molpad on Android http://tinyurl.com/4yzceyb

ChemMobi http://tinyurl.com/3h4r2pf

ChemJuice http://tinyurl.com/43vrfzr Linked to YouTube Content

Mobile Molecular Datasheet Blackberry: http://appworld.blackberry.com/webstore/content/10662

Mobile Molecular Datasheet iPhone: http://tinyurl.com/28ojyg4

MolPrime http://tinyurl.com/3plaghq

Green Solvents http://molmatinf.com/greensolvents.html
A reference list of solvents, with auxiliary information about their health, safety and environmental malignancy.

ChemSpider Mobile

Analytical Chemistry
Various type of analytical science can be served:
General capabilities
Spectral display
Tables of constants
NMR
Active nuclei, frequencies
Chemical shift prediction
Mass Spectrometry
Mass calculation:
Infrared
Others….

Spectra in the hand

NMR Isotopes iPhone, iPod & iPad: http://tinyurl.com/44498hp

Mass Spectrometry: Isotopia iPhone, iPod & iPad: http://tinyurl.com/3hb2t54

Accurate Mass Tool iPhone, iPod & iPad: http://tinyurl.com/3cqvqfm

LabCalPlus Ipad: http://tinyurl.com/3pbdyjv

Bioinformatics too…GenomePad http://tinyurl.com/3o5hdq5

Large Molecules http://tinyurl.com/ylkl6pt

iKinase for iPad http://tinyurl.com/3t9oug7

iKinase for iPhone http://tinyurl.com/3kqhfln

Other Scientific Apps
There are an abundance of other scientific apps..
Physics
Biology
Medicine
Mathematics
Geology

Sourcing information about SciApps http://www.scimobileapps.com/
An explosion of Science Apps
Different platforms, different versions
How do you track them all?
How do you search them?
Where can developers post information about apps?
iTunes does not segregate based on science!
Introducing the SciMobileApps Wiki …

Why not use Wikipedia???
General listings of apps are strictly controlled…

The SciMobileApps Hosts
SciMobileApps is hosted for the community by two scientists interested in how Mobile Apps can contribute to the worlds of chemistry and Drug Discovery.
Antony Williams is a part of the online social network as ChemConnector on Wikipedia , on Twitter , on his Blog and on LinkedIn
Sean Ekins is a part of the online social network as CollabChem on Wikipedia , on Twitter , on his Blog and on LinkedIn

SciMobileApps Pages: Chemistry

SciMobileApps Wiki

SciMobile Apps Wiki

SciMobile Apps Wiki
Request account: Click for Link

Apps vs. Mobile Optimized Websites
Apps are resident and can run without internet access (provided they are not dependent on cloud-based content)
Support of apps on multiple devices can be resource intensive to support
Mobile Optimized Websites serve all devices, but there might still be some browser dependence
Can only work when there is internet access
Likely cheaper to deploy and support – no revenue sharing with “App Stores”

ChemSpider Website on Mobile

Reaction Database Look-up http://cssp.chemspider.com/

Other Resources
Smart Phones – A Powerful Tool in the Classroom
Mobile chemistry - chemistry in your hands and in your face
Mobile apps for chemistry in the world of drug discovery
Slideshare presentations
Chemistry in the hand the delivery of structure databases and spectroscopy gaming on mobile devices
Chemistry in your hand using mobile devices to access public chemistry compound data

Thank you Twitter : ChemConnector Blog : www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

http://www.chemconnector.com	614
http://www.chemspider.com	20
http://translate.googleusercontent.com	3

Mobile Chemistry and the SciMobileApps Wiki OCTOBER 2011 VERSION

by Antony Williams, ChemConnector

Accessibility

Categories

Upload Details

Usage Rights

3 Embeds 637

Statistics

Mobile Chemistry and the SciMobileApps Wiki OCTOBER 2011 VERSION Presentation Transcript