Oct
16
New paper: "XMetDB: an open access database for xenobiotic metabolism"
Back in 2013 at the OpenTox conference in Mainz I spoke with Ola, Patrik, and Nina. They were working on a database for CYP metabolism, XMetDB, which I joined on the spot. The database has Open Data, an Application Programming Interface (API), is Open Source, and good amount of experimental detail, like specific enzyme involved and the actual atom mapping of the reaction. A few weeks ago, the paper describing the database was published in the Journal of Cheminformtics (doi:10.1186/s13321-016-0161-3). It's not perfect, but we hope it is a seed for more to follow.
The data, it turns out, is really hard to come by. While I was adding data to the database for most-selling drugs, it was hard to find publications where a human experiment was done (many experiments use rat microsome experiments.
The data, it turns out, is really hard to come by. While I was adding data to the database for most-selling drugs, it was hard to find publications where a human experiment was done (many experiments use rat microsome experiments.
