Drug screening with elastic-net multiple kernel learning

Pasupa, Kitsuchart; Hussain, Zakria; Shawe-Taylor, John; Willett, Peter

doi:10.1109/BIBE.2013.6701529

Drug screening with elastic-net multiple kernel learning

Author(s)

Pasupa, Kitsuchart

Hussain, Zakria

Shawe-Taylor, John

Willett, Peter

Date Issued

December 1, 2013

Type

Conference Paper

DOI

10.1109/BIBE.2013.6701529

Abstract

We apply Elastic-net Multiple Kernel Learning (MKL) to the MDL Drug Data Report (MDDR) database for the problem of drug screening. We show that combining a set of kernels constructed from fingerprint descriptors, can significantly improve the accuracy of prediction, against a Support Vector Machine trained on each kernel separately. To the best of our knowledge, this is the first application of MKL to the MDDR database for drug screening. © 2013 IEEE.

Citation

13th IEEE International Conference on Bioinformatics and Bioengineering IEEE Bibe 2013, 2013