CSA Trust Grants 2018

The Chemical Structure Association (CSA) Trust Grant Program is now accepting applications, from young researchers with an interest in systems and methods used to store, process and retrieve information about chemical structures, reactions and compounds. You can view the details here and can get in touch with Bonnie Lawlor (chescot@aol.com) if you have any questions.

Software for the “Federation of Independent Scientists”

A few days back, Derek Lowe posted a comment from a reader who suggested a way to approach the current employment challenges in the pharmaceutical industry would be the formation of a Federation of Independent Scientists. Such a federation would be open to consultants, small companies etc and would use its size to obtain group […]

Cheminformatics – the New World for TCS?

A few weeks back Aaron Sterling posted a review of the Handbook of Cheminformatics Algorithms (in which I have a chapter). Aaron notes … my goal for the project changed from just a review of a book, to an attempt to build a bridge between theoretical computer science and computational chemistry … The review/bridging was […]

What Has Cheminformatics Done for You Lately?

Recently there have been two papers asking whether cheminformatics or virtual screening in general, have really helped drug discovery, in terms of lead discovery. The first paper from Muchmore et al focuses on the utility of various cheminformatics tools in drug discovery.  Their report is retrospective in nature where they note that while much research […]