Content
Overview
The UKQSAR and ChemoInformatics Group Autumn 2010 Meeting was held on 12th October at the Wellcome Trust Conference Centre, Genome Campus at Hinxton near Cambridge www.wtconference.org.uk/.
We have a diverse and interesting programme arranged. One session will be on "not for profit" initiatives and includes a talk by Tom Heightman from SGC on the building of chemogenomic platforms for epigenetic protein families, a talk on workflow tools by Mike Bodkin from Lilly and uses of chemogenomics databases from EBI. In addition, there will be talks on the application of QSAR and pharmacophore methods from GSK and Lilly, a comparison of fingerprint methods carried out at Schrodinger and Andreas Bender from the Unilever Centre will talk about modeling using proteochemometric approaches.
Programme
| Autumn meeting (October 12th) | ||
| Registration and coffee (9:15-10:00) | ||
| Morning session (10:00-12:00) | ||
| 10:00-10:15 | Brad Sherborne (MSD) Welcome & Group business | |
| 10:15-10:55 | Tom Heightman (SGC) Drugging the Epigenome: Protein Family Systematic Chemical Biology | |
| 10:55-11:25 | Anne Hersey (EMBL-EBI) ChEMBLDB - A Resource for Drug Discovery | |
| 11:25-12:00 | Mike Bodkin (Lilly) A stitch in KNIME saves time: workflows in medicinal chemistry | |
| Lunch (12:00-13:10) | ||
| Afternoon session (13:10-16:15) | ||
| 13:10-13:45 | Andreas Bender (Unilever Centre) From Single-Target Models to Multiple-Target Models - Extrapolating in Target Space Using Proteochemometrics Approaches | |
| 13:45-14:15 | Juliette Pradon (Lilly) A New Approach for Chemotype Enrichment in Ligand Based Design | |
| 14:15-14:45 | Nick Barton (GSK) A Sparse Approach to Lead Optimisation | |
| Coffee (14:45-15:15) | ||
| 15:15-15:45 | Patricia Bento (EMBL-EBI) Exploring the property space of bioactive peptides | |
| 15:45-16:15 | Jas Bhachoo (Schrodinger) Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments | |
| Tea and depart (16:15) | ||