Category Archives: SciMobile Apps Wiki

The potential benefits of making yourself visible online as a scientist

The potential benefits of making yourself visible online as a scientist

This is a presentation I gave at MIT to the Boston ACS Young Chemists regarding how they can take advantage of some of the online tools to spread the message about their activities, their interests, get engaged with collaborative science and participate now to gain benefits from the growing world of AltMetrics


Apps and approaches to mobilizing chemistry from the Royal Society of Chemistry

This is the first presentation I gave at the ACS Meeting in Indianapolis

Apps and approaches to mobilizing chemistry from the Royal Society of Chemistry

Mobilizing chemistry by delivering data and content from Royal Society of Chemistry resources has become an important component of our activities to increase accessibility. Content includes access to our publications, our magazine content and our chemistry databases. Mobile devices also allow us to deliver access to tools to support teaching, game-based learning, annotation and curation of data. This presentation will provide an overview of our varied activities in enhancing access to chemistry related data and materials. This will include providing data feeds associated with RSC graphical databases, our experiences in optical structure recognition using smartphone apps and our future vision for supporting chemistry on mobile devices.


Navigating scientific resources using wiki based resources

Presentation given at ACS New Orleans Spring Meeting

There is an overwhelming number of new resources for chemistry that would likely benefit both librarians and students in terms of improving access to data and information. While commercial solutions provided by an institution may be the primary resources there is now an enormous range of online tools, databases, resources, apps for mobile devices and, increasingly, wikis. This presentation will provide an overview of how wiki-based resources for scientists are developing and will introduce a number of developing wikis. These include wikis that are being used to teach chemistry to students as well as to source information about scientists, scientific databases and mobile apps.


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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Serving up and consuming community content for chemists using wikis #ACSPhilly

Unfortunately I had to leave the ACS Meeting in Philadelphia but my colleague David Sharpe will be giving this presentation for me. I have made available a copy of the presentation on Slideshare here but also uploaded a narrated version onto YouTube.

“Wikipedia has become the world’s most famous encyclopedia using as it’s platform the MediaWiki open source software. The software is supported not only by the MediaWiki foundation but by a community of developers who build widgets and add-ons to extend the capabilities. This presentation will review how MediaWiki has been used as a container for a number of resources of value to chemists, specifically SciMobileApps, SciDBs and ScientistsDB holding content regarding mobile scientific apps, scientific databases and scientists. We will also review how chemistry content within Wikipedia has been used to enhance the content underlying the RSC ChemSpider database and how the platform supports an educational environment for chemistry students.


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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ChemSpider Mobile Screencast now available

An early view screencast of the functionality of ChemSpider Mobile is now available.  New movies showing the details of the app will follow in the near future but this is an early view for interested parties.


SciMobileApps Updates for the Week

The SciMobileApps wiki went online this past week and it’s been an interesting week of uptake. We have a number of pages now posted including ChemDoodle Mobile, ChemJuice Grande, iKinase Pro, MolPrime, GC Calculator and Yield101. A couple of Apps were added each day. Great for the first week out!

Since then some night time efforts have layered on Categories so that it is easy to see what Apps are available on iPhone, to see what is Chemistry related and so on. This is simply done by adding to the categories at the end of an article as shown below:

Categories: Chemistry | IPhone | IPod | IPad | BlackBerry

The Home page has been modified to include an App of the Month and a new template included as listed below.

Adding Data

A template has been created for you to use as the basis of each SciMobileApps article. Hopefully you are familiar enough with MediaWiki to create your own page. Once the page has been created then simply copy the text contained within the template into the page and edit as appropriate. The template is available by clicking on the word template in this sentence.”

What we need more of in the next few weeks is new apps. We have a lot of chemistry apps but would love to get the Physics, Maths and Medical Apps expanded too!

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Posted by on June 25, 2011 in SciMobile Apps Wiki


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Announcing the SciMobileApps Wiki for Community Based Listing of Science Apps

I am sure that most of you are already smartphone or tablet users as many people visiting this blog are, like me, interested in the latest technologies. I’ve been a smartphone user for a number of years and certainly did get caught up in the iPhone and iPod wave using both mobile technologies. Now with the Android OS abounding on both phone and tablet it will be interesting to see how the next few years play out for me in terms of dedication to Apple technologies.

With the “world of Apps” came a lot of interest in how science would make use of this new technology platform. I have given presentations on “Mobilizing Chemistry” and it has had over 3000 views.  I’ve written an article with Harry Pence regarding SmartPhones in the classroom and have been very passionate about making sure that ChemSpider is supported on mobile platforms with ChemMobi [Working with James Jack 1,2] as well as the Mobile Browser support work done by Sergey Shevelev in our team [3,4]. While my personal bias is chemistry clearly apps cover all of science….and these scienceapps are growing in number.

I am fortunate to have worked with a terrific group of co-authors to pen an article regarding “Mobilizing Chemistry in the World of Drug Discovery”. This article, written by Sean Ekins, Alex Clark, Rich Apodaca, James Jack and myself  was submitted today. In parallel Sean and I decided that since we had done the work to assemble a collection of apps for the article it made total sense to keep track of this on an ongoing basis so we’ve set up a wiki so that the community can help us track what is available. This wiki is at and offers you the opportunity to update the wiki with an overview of a scientific app or your review of an app that might already be there. Wikipedia is very cautious about having articles posted on apps as they see them primarily as advertising. We are of the opinion that this site can serve the ability of advertising your apps if you are willing to put in the work to list it. As long as you do this in an appropriate manner, much as emulated by Alex Clark with his MMDS, MolPrime, Yield101 and Reaction101 apps, there is no problem.

It is assumed that most of you will know how to edit in the world of MediaWiki. If not I suggest looking for basic MediaWiki instructions online (it’s the same platform as used for Wikipedia!). As you will see the SciMobileApps is NOT just for chemistry but for all forms of science as listed on the Main Page and can even be extended as the community sees fit. As time allows we’ll put together a page of help tips for you to follow and maybe a short movie. This is an after-hours project only and is aligned with the publication we have submitted for publication. This is simply a community resource for scientists. Enjoy. We welcome your feedback.