W:Compounds from Support Vector Machine paper available for download
- From: "Mike, K, Gilson" <gilson *
- Subject: W:Compounds from Support Vector Machine paper available
- Date: Wed, 4 May 2005 15:00:28 -0400
In response to a request, Rob Jorissen and I are providing SDfiles with the test
and training sets of compounds from our recent paper regarding the use of an SVM
method for compound screening. (See J. Chem. Inf. Mod., ASAP articles.)
The set comprises 25 known binders each for 5 drug targets, along with about
1800 decoy compounds from the NCI diversity set.
To download, go to the following URL: ilsonlab.umbi.umd.edu\compounds.html
Please let me know if you run across any problems with the download or the data.