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On behalf of Prof. Debarchana Ghosh(UConn):Im designing a survey to collect information about a persons daily activities in their neighborhood and their social networks, i.e. the people they meet and talk to. Examples of daily activities include going to work,...
Applications Invited for CSA Trust Grant for 2017The Chemical Structure Association (CSA) Trust is an internationally recognized organization established to promote the critical importance of chemical information to advances in chemical research. In support...
Over the last few years I’ve been maintaining my publication list as a BibTeX file,managed by BibDesk.This is handy when writing papers, but it’s also useful to use this data to keep my CV updated or generate a publications page. Since BibDesk can...

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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...
My NCTT colleague, Trung Nguyen, recently announced a prototype chemical substructure search system based on fingerprint pre-screening and an efficient in-memory indexing scheme. I won’t go into the detail of the underlying pre-screen and indexing methodology...
I’ve submitted version 3.4.3 of the fingerprint package to CRAN, so it should be available in a day or two.It’s an R package that lets you read in (chemical structure) fingerprint data from a variety of sources (CDK, MOE, BCI etc) and perform a...

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"Open source chemistry software and molecular databases broaden the research horizons of drug discovery" [DOI 10.1145/2366316.2366334]Here some additional thoughts for putting our recent advocacy article and a call-for-action for more collaboration between...
In the previous blog post, I commented on some aspects on the Federation of Independent Researchers an interesting initiative for smaller players of the pharma/biotech industry. Among the comments on the original post in Derek Lowes In the Pipeline, there were...
In the previous blog post, I commented on some aspects on the Federation of Independent Researchers an interesting initiative for smaller players of the pharma/biotech industry. Among the comments on the original post in Derek Lowes In the Pipeline, there were...