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. ┬áTheir report is retrospective in nature where they note that while much research […]

Another ACS Done

Finally back home from another ACS National Meeting, this time in San Francisco. While the location is certainly an attraction, there was some pretty nice talks and symposia in the CINF division such as the Visualization of Chemical Data, Metabolomics and Materials Informatics. Credit for these (and all the other) symposia go to the organizers […]