Monday 4th



Tea/Coffee (Exhibition area)

Database Analysis

Chair: Peter Willett

11:00 – 11:30 1. Mining Compounds, Targets and Indications from the Patent Corpus with SureChEMBL and Open PHACTS
George Papadatos, European Bioinformatics Institute (Abstract) (Presentation)
11:30 – 12:00 2. Synthetically Accessible Virtual Inventory (SAVI)
Marc C. Nicklaus, National Cancer Institute (Abstract) (Presentation)
12:00 – 12:30 3. Solubility – In Search of a Structural Solution
Beth Thomas, Cambridge Cystallographic Data Centre (Abstract)


Sit-down Lunch (Dining Room)

MGMS Committee Meeting
Poster Set-up

Library Design and Lead Finding I

Chair: Ansgar Schuffenhauer

14:00-14:30 4. Examining the Diversity of Large Collections of Building Blocks in 3D
Paolo Tosco, Cresset
(Abstract) (Presentation)
14:30-15:00 5. The Impact of the Shape of a Molecule on its Biological and Physical Properties
Andrew G. Leach, Liverpool John Moores University (Abstract)
15:00-15:30 6. Of Needles and Haystacks: Designing Compound Collections for Success
Christos A. Nicolaou, Eli Lilly and Company (Abstract)


Tea/Coffee (Exhibition and Poster areas)

Library Design and Lead Finding II

Chair: Steve Maginn

16:00-16:30 7. SNOWFLAKE: Data-driven Decisions in Lead Discovery
Paul Hawkins, OpenEye Scientific Software (Abstract) (Presentation)
16:30-17:00 8. Combining Objective Scaffold Clustering and Systematic Scaffold Enumeration to Enrich SAR Information from HTS Data Analysis
Yi Mok, Institute of Cancer Research
(Abstract) (Presentation)
17:00-17:30 MGMS Silver Jubilee Prize:
9. In Silico Exploration of Chemical and GPCR Ligand Space
Peter Kolb, Philipps-University Marburg (Abstract)




 Poster Set-up

18:30-late Poster and Exhibition Session

Drinks Reception
followed by Buffet Supper

 Tuesday 5th>