News of the ChemSpider Journal of Chemistry has been posted in various places. This effort is interesting as it is a combination of features that are currently available in different forms. Like other Open Access journals, the CJC will be follow the BOAI and hence be Open Access. In addition it will exhibit markup of […]
Live ONS Solubility Queries
In a previous post, I described a simple web form to query and visualize the solubility data being generated as part of the ONS Challenge. The previous approach required me to manually download the data and load it into a Postgres database. While trivial from a coding point of view, it’s a pain since I […]
Kinase Inhibitors and Polypharmacology
The Curious Wavefunction has a nice post on the issue of selective and non-selective kinase inhibitors. An interesting commentary, especially in the light of the recent paper on network polypharmcology. While there have been a number of papers on polypharmcology and the idea itself is very attractive, it has seemed to me that for this […]
Combinatorial Libraries and Mixtures
Houghten, R. et al, “Strategies for the Use of Mixture-Based Synthetic Combinatorial Libraries: Scaffold Ranking, Direct Testing In Vivo, and Enhanced Deconvolution by Computational Methods”, J. Comb. Chem., 2008, 10, 3-19 Recently a collaborator pointed me to the above article by Houghten and co-workers where they describe the use of mixture-based combinatorial libraries for high-throughput […]