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I am quite happy to announce, although a bit late, that I have another article published. It has been accepted in BMC Bioinformatics and the tittle is “A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization“. If we had submitted it to Bioinformatics we should have [...]

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If you want to publish in Bioinformatics you should follow 3 unwritten rules: Submit a tool Give your tool a name Make it available through a web service The funny part comes when scientists, those that are known by their imagination and creativity, have to give a name to their precious tool. When faced with [...]

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A new book on Chemoinformatics is born. The Handbook of Chemoinformatics Algorithms has been edited by Jean-Loup Faulon and Andreas Bender. It has chapters written by people like Egon Willighagen, Alexander Tropsha, Rajarshi Guha, and Tatsuya Akutsu, among others. I would like to read the chapters “Structure Enumeration and Sampling”, “Open Source Chemoinformatics Software and [...]

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In the small field of chemoinformatics, Andreas Bender is a well known scientist. I was lucky of having him as the supervisor of my master thesis, and now as a collaborator in my PhD. Thanks to Andreas, who made my research project utterly exciting, I took the decision of following a PhD. Unfortunately now he [...]

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Every year there is a Metabolomics Conference organized by the Metabolomics Society, and this year it will be held in Amsterdam. Lots of cool people in the field will be attending and so will I. If anyone is planing to come to the conference and would like to invite me to a beer, please leave [...]

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In the Internet world, it seems that if you are not an entrepreneur or you do not develop cool Web 2.0 apps you are a nobody. There are lots of people that make a living from and inside the Internet, maybe freelance designers, web developers, full time bloggers, or even ebook writers. You have the [...]

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ZINC is a popular database of purchasable compounds, widely used for screening for new compounds or as a representation of chemical space. I was recently using it for building some models, and since it contains quite some molecules(~20M) I opted for using the clustered datasets ZINC provides. Unfortunately, this clustering only selects molecules below 370Da. [...]

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