Location: EU Supported » PASCAL - Pattern Analysis, Statistical Modelling and Computational Learning » 6th IARP -TC-15 Workshop on Graphbased Representations in Pattern Recognition

event thumbnail image

6th IARP -TC-15 Workshop on Graphbased Representations in Pattern Recognition

Molecular Graph Kernels for Drug Discovery

author:Anthony Demco, University of Southampton
published: July 19, 2007, recorded: June 2007, views: 176

Categories

Top » Computer Science » Bioinformatics
Top » Computer Science » Machine Learning » Kernel Methods

Turn off the lights

You might be experiencing some problems with Your Video player.

Slides

Slides
0:00	Molecular Graph Kernels for Drug Discovery
0:15	Overview (1)
0:51	Overview (2)
0:54	Drug Discovery
2:49	Current Approaches to QSAR
3:26	Overview
3:28	Our Approach
3:52	Representing Molecules as Graphs (1)
4:10	Representing Molecules as Graphs (2)
4:54	Kernel Methods
6:08	Kernels for Graphs
7:46	Overview
7:47	p-Length Graph Kernel
9:02	Dynamic Programming
9:40	Extensions - Non-tot and Soft-match
11:00	Extensions - Gaps
11:57	Overview
11:59	Results
12:53	Overview
12:54	One-class vs. Two Class
13:30	Motivation for using only One Class
14:35	Experiment: Compare One-Class and Two-class (1)
15:01	Experiment: Compare One-Class and Two-class (2)
15:32	Experiment: Vary amount of inactives
16:13	Discussion
16:41	Overview
16:42	Review
17:05	References
17:07	Questions?

Related content

Visitors who watched this lecture also watched...

Graph kernels and applications in chemoinformatics
462 views - Jean-Philippe Vert, 2007

Introduction to bioinformatics
2903 views - Gunnar Rätsch, 2007

Bioinformatics
549 views - Pierre Baldi, 2003

Graph Mining and Graph Kernels
574 views - Karsten Michael Borgwardt, Xifeng Yan, 2008

Kernel Methods in Computational Biology
928 views - Jean-Philippe Vert, 2006

Random walk graph kernels and rational kernels
402 views - S.V.N. Vishwanathan, 2007

Bioinformatic, Structural Biology and Structure Based Ligand Design in Drug discovery
408 views - Neera Borkakoti, 2006

ML in Bioinformatics
976 views - Florence d'Alché, 2007

Introduction to kernel methods
2721 views - Bernhard Schölkopf, 2007

Statistical Learning Theory
7998 views - John Shawe-Taylor, 2004

Report a problem or upload files

If you have found a problem with this lecture or would like to send us extra material, articles, exercises, etc., please use our ticket system to describe your request and upload the data.
Enter your e-mail into the 'Cc' field, and we will keep you updated with your request's status.

Lecture popularity: You need to login to cast your vote.

See Also:

Download slides icon Download slides: gbr07_demco_mgk_01.pdf (311.7 KB)

Launch Windows Media Player Launch in a standalone WM Player

WMedia Player Switch to Windows Media Player

Help icon Streaming Video Help

WebLink icon Windows Media Player Firefox Plugin - Download

Link this page

Would you like to put a link to this lecture on your homepage?
Go ahead! Copy the HTML snippet !

Write your own review or comment:

Comment
Name
Email address
URL

make sure you have javascript enabled or clear this field: