Archive for the ‘Chemoinformatics’ Category
Platform for Systems Biology and Bioinformatics: NetBeans vs Eclipse
An unbiased list of systems biology, bioinformatics and chemoinformatics applications built on top of Netbeans pltform and Eclipse RCP. In all fairness, there is no clear winner. In fact with little variations both Eclipse and Netbeans can be used for [...]
Steering drug discovery efforts away from the flatland
Does high-throughput synthetic practices have failed the drug discovery efforts by steering them toward greater unsaturation leading to more flat aromatic compounds those may not be better complement to the target proteins? Yes at least that’s what Frank Lovering and [...]
What you call this? Linguistic morphology of chemical names and lost in translation
Here is a real world example how Linguistic morphology of chemical names may have unwanted secondary effects For example, English search engines such as Google and Yahoo! are unable to find “chlorobenzene” by searching for “benzene”. Interestingly, in other languages [...]
Accelrys starts community blog
Accelrys has recently started their blog for the scientific and engineering research community. Although Accelrys is not very first in this foray but this is good move to engage the scientific community. This blog addresses subjects in Life Sciences including [...]
Which molecular editor do you use and why?
Recently ChemSpider man Antony Williams raised the issue of molecular editors on a LinkedIn group discussion. He suggests that price for most of editors has dropped dramatically because there are several good commercial editors available in market. Last but not [...]
Estimating synthetic accessibility of drug-like molecules
In a recent Journal of Cheminformatics paper, Peter Ertl and Ansgar Schuffenhauer have proposed a new scoring approach SAscore or synthetic accessibility score to estimate ease of synthesis (synthetic accessibility) of drug-like molecules based on fragment contributions and molecular complexity [...]
Chemical Open Source For Free: How far it really matters
In a recent post Peter Murray-Rust applauds that “Chemical software will be Open Source“, and claims that “the simple future is inevitable“. I agree with the fact that open source is a long due activity in this particular area. Different [...]
MapReduce is now reaching mainstream science
Most of you will be aware about MapReduce, a framework developed by Google to analyze large data sets in parallel on clusters of computers. It is used for certain kinds of distributable problems using a large number of computers. There [...]
30+ Blogs about Bioinformatics and Chemoinformatics Programming
Blog Author Details Langugae Open.nfo bioinformatics, linux, open-source software, open science Bioinformatics Zen Michael Barton best practices for bioinformatics programming and software development Genedrift Paulo Nuin a step-by-step guide to create Python applications in bioinformatics Python Blue Collar Bioinformatics Brad [...]
