Macs in Chemistry

Insanely Great Science

EduChemVR at Chemistry on mobile devices


Jonas Boström from EduChemVR will be speaking at the Chemistry on Mobile Devices Meeting organised by RSC Chemical Information and Computer Applications Group, 7 September 2016 10:00-16:30, Cambridge, United Kingdom

Our vision is to educate and make chemistry the coolest and most fun subject to learn, and introduce a new way to learn chemistry (and biology) using virtual reality on smartphones…We aim to take a lead in digitalizing life science education by gamification. With EduChemVR apps, teachers can take students on virtual tours to explore small and large molecules.

He has also agreed to give demos at the “poster” session which should be fun.


9000 packages on CRAN


The latest update to the CRAN R archive brings the total number of packages to 9004.


2016-08-22: 9000 packages
2016-02-29: 8000 packages
2015-08-12: 7000 packages
2014-10-29: 6000 packages
2013-11-08: 5000 packages
2012-08-23: 4000 packages
2011-05-12: 3000 packages
2009-10-04: 2000 packages
2007-04-12: 1000 packages
2004-10-01: 500 packages
2003-04-01: 250 packages

There is a listing of data analysis tools for Mac OSX here.


Mathematica 11 Is Now Available


Mathematica 11 has been released.

We are pleased to announce that Mathematica 11 has arrived, with over 500 new functions! Continuing on the path of aggressive innovation that Stephen Wolfram first embarked on 30 years ago, Version 11 embraces new areas of modern technology and introduces cutting-edge functionality to match. With Mathematica, you can now print 3D models and plots directly through either local or cloud-based 3D printers. Or instead, identify over 10,000 objects, and classify and extract features in your data with the customizable suite of enhanced machine learning tools. You can also construct, train and evaluate high-performance neural networks with both CPU and GPU support, enabling powerful deep learning in just a few lines of code. Integrated support for audio, from trimming and filters to synthesizing sounds and measuring audio, makes Mathematica 11 a flexible platform for digital audio processing and analysis.

You can read more about it in Stephen Wolfram’s blog post.




I just noticed that iScienceSearch has been updated.

Search by structure, text, name and identifiers in 100 chemical and biological databases. A single front-end allows you to get links with answers for your query searching the scientific web! NEW! iScienceSearchlite is a new iScienceSearch version with a simplified UI, which is optimized for smaller screens and slow Internet connections.

There is an review of an earlier version here


CICAG Newsletter


The CICAG newsletter is now available here

CICAG aims to keep its members abreast of the latest activities, services, and developments in all aspects of chemical information, from generation through to archiving, and in the computer applications used in this rapidly changing area through meetings, newsletters and professional networking