Tag Archives: Mobile Chemistry

New Natural Products Updates App from RSC

We at RSC are fully committed to a mobile vision in terms of access to articles, data, our databases, services and…well…let’s see what the future brings! I’ve been fascinated with mobile chemistry for a couple of years now and co-authored a number of relevant articles in this area…

A.J. Williams and H. Pence, Smart Phones, a Powerful Tool in the Chemistry Classroom, J. Chem. Educ. 2011, 88 (6), pp 683–686. Link

Mobilizing Chemistry in the World of Drug Discovery, A.J. Williams, S. Ekins, R. Apodaca, A.Clark and J. Jack, Drug Discovery Today, 16:928-939

Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration, S. Ekins, A.M. Clark, A.J. Williams, Molecular Informatics 31 (8), 585-597, 2012 Link

Redefining Cheminformatics with Intuitive Collaborative Mobile Apps, A.M. Clark, S. Ekins, A.J. Williams, Molecular Informatics 31 (8), 569-584, 2012 Link

Incorporating Green Chemistry Concepts into Mobile Chemistry Applications and Their Potential Uses, S. Ekins, A.M.Clark and A.J. Williams, ACS Sustainable Chem. Eng., 2013, 1 (1), pp 8–13,

Cheminformatics workflows using mobile apps, A. Clark, A.J. Williams and S. Ekins, Chem-Bio Informatic Journal, Vol. 13, pp.1-18 (2013)

In parallel we have been VERY active in supporting the delivery of Mobile Apps such as ChemSpider mobile for BOTH iOS and Android written by Alex Clark. In parallel we have been working on a couple of new apps and now we release, for Android only at present, our new NPU Alerts application. NPU stands for Natural Product Updates, one of the RSC graphical Databases as shown here: LINK.

What Dmitry Ivanov, one of our team, has produced is an Android App that displays the latest batch of structures in an “issue” of the database, produced monthly. It displays up to 200 compound structures and the links out to both ChemSpider and the relevant record on the graphical abstracts database. It is MUCH easier for a scientist to recognize structure class by looking at a structure representation compared with a chemical name like hexamethylchickenwire. A user of the app can quickly browse the chemical structures and click on the relevant compound for more information.

This is the first example of us displaying “structure flows” like this from a graphical abstract database. The first of many. it is not difficult to envisage extending this to supporting structure flows for each issue of a journal…right!?

Please go and try out the app and give us your feedback….it can be downloaded here: LINK

NPU Alerts


Posted by on February 13, 2013 in Mobile Chemistry, RSC Publishing, SciMobile Apps Wiki


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Mobile Chemistry and Generation App

A presentation given today at the ICIC Meeting in Barcelona #icic2011

While the internet has been revolutionizing our access to data and information via our computers, computers have been miniaturizing to the point where a smart phone offers capabilities that many desktops could not deliver less than a decade ago. Mobile browser technology and app-based delivery for software has now delivered into our hands further access to data via phones, pads and tablets. Whether it be in the form of chemical calculators, accessing publishers websites or public domain databases containing millions of chemical structures, mobile chemistry is here and is expanding in capability and coverage at a dramatic rate. This presentation will review the status of mobile devices and how they are being used to enable chemists.




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Updated Presentation on Mobile Chemistry Apps and the SciMobileApps Wiki

I am presently in Barcelona at the ICIC meeting to give a presentation entitled “Mobile Chemistry and “Generation App”.   I have been preparing by looking at what is new in the world of Chemistry Apps and in the process have updated my ongoing list of apps and updated it on SlideShare. I intend to keep updating it every couple of months to keep track of new apps as they become available. I have not had time to update the SciMobileApps wiki as yet.



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Chemistry in the hand: The delivery of structure databases and spectroscopy gaming on mobile devices

This is the presentation I gave at ACS Denver on Mobile Devices and Chemistry.


Chemistry in the hand: The delivery of structure databases and spectroscopy gaming on mobile devices

The proliferation of mobile devices in the form of smartphones and tablet devices has put into our hands computational power and capability previously limited to desktop until recently. Couple this with the connectivity of these devices to the internet and the trend of increased capability and accessibility in smaller devices continues. This presentation will provide an overview of our efforts to provide access on mobile devices to a large chemistry database, ChemSpider, containing over 25 million unique chemical compounds and associated data including patents, publications, properties and analytical data. We will also discuss how, by providing programming interfaces and Open Data, it has been possible to produce a Spectral Game ( for scientists and students to practice their spectral interpretation skills. We will discuss some of the technology hurdles associated with delivering such capabilities to the various mobile platforms and how modern technologies can significantly enhance the user experience.



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Posted by on August 30, 2011 in Publications and Presentations


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My presentation on Mobile Chemistry and does Slideshare work for marketing?

I have been using Slideshare to post my presentations for a couple of years now. It’s easy to use, has high traffic, has great utilities like embedding (used below) and is a “safe place” to store my presentations (assuming it stays alive!). The presentation I gave at the Special Libraries Association in New Orleans this week received over 300 views in 24 hours. It’s at 735 views as I write this, that’s in 3 days. I have received emails, its been embedded in other websites and I’ve received some very positive feedback. Now I need to find time to do a voiceover version and put it on YouTube!

Slideshare is a super way to share my presentations, store my documents/papers for public exposure and get the message out. I recommend it to everyone!

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Posted by on June 18, 2010 in Computing


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