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Mobile Chemistry and the SciMobileApps Wiki
Antony Williams, PhDVersion: October 22nd 2011
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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
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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
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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)
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ACS MobileiPod, iPhone, iPad and Android: http://tinyurl.com/6fssajt
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ACS MobileiPod, iPhone, iPad and Android: http://tinyurl.com/6fssajt
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Scientific Publisher Apps (Nature)http://www.nature.com/mobileapps/
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SciVerse ScienceDirecthttp://tinyurl.com/3czq37y
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Sciverse Scopushttp://www.info.sciverse.com/scopus
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Science Apphttp://www.aaas.org/news/releases/2010/1108science_app.shtml
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PNAShttp://tinyurl.com/3fm94op
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Journal of Biological Chemistryhttp://tinyurl.com/3uzwaeb
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RSC MobileiPod, iPhone & iPad: http://tinyurl.com/69phsms
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Delivering Content to Apphttp://www.digitalpc.co.uk/mobile/
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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
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SciFinder Mobilehttp://www.cas.org/products/scifindr/sfmobile/
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PubMed on TapiPhone and iPad: http://tinyurl.com/256zgnw
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PubMed on TapiPhone and iPad: http://tinyurl.com/256zgnw
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Managing Papershttp://www.mekentosj.com/papers/iphone/
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Papershttp://www.mekentosj.com/papers/iphone/
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Mendeley on iPhonehttp://tinyurl.com/3bv5g5m
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eBooksiPad: 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…
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Wikipedia Chemistry
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Theoretical Chemistry
Only a small number of theoretical chemistry apps are available
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Atom in a BoxiPod, iPhone and iPad: http://tinyurl.com/69mht5f
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MolsimiPod, iPhone and iPad: http://tinyurl.com/4yt7bn4
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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
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Wikipedia Chemistryhttp://tinyurl.com/3t2hqzu
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EleMintshttp://tinyurl.com/3pbuk7t
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Chemistry DictionaryiOS: http://tinyurl.com/3lecqo3
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Organic Compound BibleiPhone and iPad: http://tinyurl.com/6eyvckj
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Drugs & Medications (A-Z)iOS: http://tinyurl.com/3dm95jw
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Epocrateshttp://tinyurl.com/y7mjf5a
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Chemical Calculators
Basic chemical calculations are simple to deliver Mass calculations Molarity Volume pH
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LabCalProiPhone: http://tinyurl.com/3kj7yun
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DailyCalcshttp://tinyurl.com/6yw7jro
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Buffershttp://tinyurl.com/6k7vk9z
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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
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NIOSH Chemical HazardsiPhone and iPad: http://tinyurl.com/6xjdjqk
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NIOSH Chemical HazardsiPhone and iPad: http://tinyurl.com/6xjdjqk
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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
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Named Reactionshttp://www.synthetiqsolutions.com/named-reactions/
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Organic Named Reactionshttp://tinyurl.com/3d54fvv
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ReactionFlashhttp://tinyurl.com/3nt54w6
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Reaction101http://molmatinf.com/reaction101.html
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Yield 101http://molmatinf.com/yield101.html
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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)
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Molpad on Androidhttp://tinyurl.com/4yzceyb
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ChemMobihttp://tinyurl.com/3h4r2pf
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ChemJuicehttp://tinyurl.com/43vrfzr
Linked toYouTube Content
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Mobile Molecular DatasheetBlackberry: http://appworld.blackberry.com/webstore/content/10662
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Mobile Molecular DatasheetiPhone:http://tinyurl.com/28ojyg4
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MolPrimehttp://tinyurl.com/3plaghq
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Green Solventshttp://molmatinf.com/greensolvents.html
A reference list of solvents, with auxiliary information about their health, safety and environmental malignancy.
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ChemSpider Mobile
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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….
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Spectra in the hand
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NMR IsotopesiPhone, iPod & iPad: http://tinyurl.com/44498hp
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Mass Spectrometry: IsotopiaiPhone, iPod & iPad: http://tinyurl.com/3hb2t54
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Accurate Mass TooliPhone, iPod & iPad: http://tinyurl.com/3cqvqfm
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LabCalPlusIpad: http://tinyurl.com/3pbdyjv
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Bioinformatics too…GenomePadhttp://tinyurl.com/3o5hdq5
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Large Moleculeshttp://tinyurl.com/ylkl6pt
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iKinase for iPadhttp://tinyurl.com/3t9oug7
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iKinase for iPhonehttp://tinyurl.com/3kqhfln
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Other Scientific Apps
There are an abundance of other scientific apps..
Physics Biology Medicine Mathematics Geology
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Sourcing information about SciAppshttp://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…
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Why not use Wikipedia???
General listings of apps are strictly controlled…
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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
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SciMobileApps Pages: Chemistry
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SciMobileApps Wiki
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SciMobile Apps Wiki
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SciMobile Apps Wiki
Request account: Click for Link
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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”
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ChemSpider Website on Mobile
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ChemSpider Website on Mobile
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Reaction Database Look-uphttp://cssp.chemspider.com/
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Reaction Database Look-uphttp://cssp.chemspider.com/
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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
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Thank you
Twitter: ChemConnectorBlog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliamsSLIDES: www.slideshare.net/AntonyWilliams