The new “Enhanced Dictation” feature in OS X Mavericks finally makes dictation worthwhile on the Mac.
Presentation from Antony Williams on progress in digitally enabling the RSC Archive.
A review on the current state of chemical text mining.
Chemical information extracted from the literature is of immense value for the pharmaceutical and chemical industries in many areas, including supporting drug discovery, manufacturing processes, or intellectual property protection. However, the exponential growth of the chemical literature has made it increasingly difficult for researchers to find the information they need within a reasonable time-frame. In order to address this issue, a large number of text mining approaches have been developed that can extract chemical information from different types of literature. But the lack of a single universal standard for chemical structure and nomenclature representation has posed significant challenges in mining the chemical information. Hence, a review on the current state of chemical text mining, problems confronted, solutions available, and future prospectus is presented.
Cheminformatics formulae for the Homebrew package manager.
Some cheminformatics toolkits are notoriously hard to build from scratch, so I put together these Homebrew formulae to make things easier.
If you don’t already have homebrew, installation is simple:
ruby -e "$(curl -fsSL https://raw.github.com/mxcl/homebrew/go)" brew update brew doctor
Then you can install anything you want using
To get the cheminformatics formulae, you first need to “tap” the repository:
brew tap mcs07/cheminformatics
Then simply use
brew install inchi brew install opsin brew install indigo brew install rdkit brew install osra
You don’t have to wait for OS X Mavericks to get tagging in the Finder. Just use colour labels and saved searches!
Hazel works great with this for automating repetitive and time consuming tasks.
The CEPDB contains data on 2.3 million molecular motifs, derived from 150 million density functional theory calculations.
JsonCpp provides a simple API for reading and writing JSON in C++. It has two classes for serialising JSON output:
FastWriter produces minified output on a single line with no whitespace, and
StyledWriter produces output padded with plenty of extra whitespace and a maximum line length.
I wanted more fine-grained control over the output, so I put together this simple
CustomWriter class that allows a custom indent, custom maximum line length, and custom whitespace around brackets, colons and commas.