Paper | Abstract | Slides as | |||
---|---|---|---|---|---|
Powerpoint | HTML | ||||
1. Hann, M., Making Lead Discovery Less Complex | ABS | Powerpoint | HTML | ||
2. Davis, A., The design of leadlike combinatorial libraries | ABS | Powerpoint | HTML | ||
3. Agrafiotis, D., Combinatorial networks: towards the unthinkable | ABS | ||||
4. Clark, R., Getting Past Diversity in Assessing Virtual Library Designs | ABS | Powerpoint | HTML | ||
5. DeWitte, R., Better (combinatorial) screening through P-chem | ABS | Powerpoint | HTML | ||
6. Hirst, J., Application of Non-Parametric Regression to Quantitative Structure-Activity Relationships | ABS | HTML | |||
7. Whitley, D., Unsupervised forward selection - a data reduction algorithm for use with very large datasets | ABS | Powerpoint | HTML | ||
8. Taylor, R., Increasing the Value of Crystallographic Databases for Drug Design | ABS | Powerpoint | HTML | ||
9. Chan, E., Bridging bioinformatics and chemoinformatics by using a knowledge-based potential for drug design | ABS | Powerpoint | HTML | ||
10. Zsoldos, Z., New methods for studying receptor-ligand interactions | ABS | Powerpoint | HTML | ||
11. Johnson, P.,Generating Synthetically Accessible Ligands by De Novo Design | ABS | Powerpoint | HTML | ||
12. Goodman, J., Analysis of flexible ligands: from conformational libraries to leads | ABS | ||||
13. Briem, H., Flexsim-R: A new set of 3D descriptors for combinatorial library design and in-silico screening | ABS | Powerpoint | HTML | ||
14. Rarey, M., Similarity searching in large combinatorial chemical spaces | ABS | ||||
15. Good, A., Know more before you score: Analysis and optimization of structure-based virtual screening protocols | ABS | Powerpoint | HTML | ||
16. Waszkowycz, B., DockCrunch and beyond: the future of receptor-based virtual screening | ABS | Powerpoint | HTML | ||
17. Nicolaou, C., Molecular Similarity and Chemical Families. The Homogeneity Approach | ABS | Powerpoint | HTML | ||
18. Calvet, A., Validating new techniques for HTS data analysis | ABS | Powerpoint | HTML | ||
19. Brown, R., Modeling HTS data for virtual screening | ABS | ||||
20. Downs, G., Fast descriptor calculation for combinatorial libraries | ABS | Powerpoint | HTML | ||
21. Blower, P., A new association coefficient for molecular similarity | ABS | ||||
22. Durant, J., MDL Keys Revisited | ABS | Powerpoint | HTML | ||
23. Simmons, K., Empirical validation of the effectiveness of chemical descriptors for similarity analysis and datamining | ABS | Powerpoint | HTML |
The poster session will take place on the evening of 9th April.
A poster board measuring 6 feet by 4 feet will be available for all poster presenters.
The following posters will be presented:
The following papers have been selected for presentation.
Abstracts and slides are available via the links as follows:
ABS - Abstract; Powerpoint - Slides as Powerpoint; HTML - Slides as HTML; PDF - Slides as PDF.
Monday 9th | Tuesday 10th | Wednesday 11th | |
---|---|---|---|
9:00-9:30 |
Session II: QSAR Chair: Jeff Morris, AstraZeneca 6. Hirst ABS HTML Application of Non-Parametric Regression to Quantitative Structure-Activity Relationships |
Session V: High-Throughput Screening Chair: Mark Bures, Eli Lilly 17. Nicolaou ABS Powerpoint HTML Molecular Similarity and Chemical Families. The Homogeneity Approach |
|
9:30-10:00 |
7. Whitley ABS Powerpoint HTML Unsupervised forward selection - a data reduction algorithm for use with very large datasets |
18. Calvet ABS Powerpoint HTML Validating new techniques for HTS data analysis |
|
10:00-10:30 | COFFEE |
19. Brown ABS PDF Modeling HTS data for virtual screening |
|
10:30-11:00 | COFFEE |
Session III: Molecular Interactions Chair: Peter Willett, University of Sheffield Session Sponsor: Workstations UK Ltd 8. Taylor ABS Powerpoint HTML Increasing the Value of Crystallographic Databases for Drug Design |
COFFEE |
11:00-11:30 | REGISTRATION |
9. Chan ABS Powerpoint HTML Bridging bioinformatics and chemoinformatics by using a knowledge-based potential for drug design |
20. Downs ABS Powerpoint HTML Fast descriptor calculation for combinatorial libraries |
11:30-12:00 |
10. Zsoldos ABS Powerpoint HTML New methods for studying receptor-ligand interactions |
21. Blower ABS PDF A new association coefficient for molecular similarity |
|
12:00-12:30 |
11. Johnson ABS Powerpoint HTML Generating Synthetically Accessible Ligands by De Novo Design |
22. Durant ABS Powerpoint HTML MDL Keys Revisited |
|
12:30-13:00 | LUNCH | LUNCH |
23. Simmons ABS Powerpoint HTML Empirical validation of the effectiveness of chemical descriptors for similarity analysis and datamining |
13:00-14:00 | LUNCH & DEPART |
||
14:00-14:30 |
Session I: Library Design Chair: John Barnard (BCI Ltd) Session Sponsor: Protherics PLC 1. Hann ABS Powerpoint HTML Making Lead Discovery Less Complex |
Session IV: Virtual Screening Chair: Darran Green, GlaxoSmithKline 12. Goodman ABS Analysis of flexible ligands: from conformational libraries to leads |
|
14:30-15:00 |
2. Davis ABS Powerpoint HTML The design of leadlike combinatorial libraries |
13. Briem ABS Powerpoint HTML Flexsim-R: A new set of 3D descriptors for combinatorial library design and in-silico screening |
|
15:00-15:30 |
3. Agrafiotis ABS Combinatorial networks: towards the unthinkable |
14. Rarey ABS Similarity searching in large combinatorial chemical spaces |
|
15:30-16:00 | TEA | TEA | |
16:00-16:30 |
4. Clark ABS Powerpoint HTML Getting Past Diversity in Assessing Virtual Library Designs |
15. Good ABS Powerpoint HTML Know more before you score: Analysis and optimization of structure-based virtual screening protocols |
|
16:30-17:00 |
5. DeWitte ABS Powerpoint HTML Better (combinatorial) screening through P-chem |
16. Waszkowycz ABS Powerpoint HTML DockCrunch and beyond: the future of receptor-based virtual screening |
|
17:00-17:30 | MGMS AGM | ||
17:30-18:30 | Open Discussion on Compound Acquisition Led by Dave Langley |
||
18:30-late | Poster Session & Exhibition beginning with Pre-dinner drinks followed by Buffet supper |
Conference Dinner |
The conference dinner will be held on the evening of Tuesday 10th April at The Cutlers' Hall, Sheffield.
The Cutlers' Hall was built for the Company of Cutlers in 1832 and is regarded as one of the finest
Halls in the North of England. The dinner will be preceeded by an informal reception and an opportunity
to explore the Hall.