Meetings

Autumn Meeting 2012 (Slides/Posters now available)

The autumn meeting which was sponsored by Takeda Cambridge was held on Thursday 8th November 2012 at Downing College, Cambridge. The Final Agenda is presented below. Click on links for available abstracts.

Further information regarding travel  in Cambridge can be found here

The presentation Slides can be viewd by clicking on the [Slides] links in the Agenda below

UK-QSAR & Cheminformatics Group Meeting 8th November 2012

Start

End

Topic

Speaker

09:00

09:30

Registration

Session 1

(Chair) David Livermore

09:30

09:35

Group business

Andrew Leach

09:35

09:50

Welcome and Introduction to Takeda Cambridge

Andy Ayscough (Takeda Cambridge)

09:50

10:25

Computational Tools for Facilitating the Fragment to Lead Process.[Slides]

Ian Wall (GSK)

10:25

11:00

From Genome to Informed Design – some experiences with FBDD and Protein Kinases.[Slides]

David Bailey (IOTA/Kinomed)

11:00

11:30

Tea/Coffee

Session 2

(Chair) David Livermore

11:30

11:55

Identifying Medicinal Chemistry Relevant Scaffolds for Scaffold Hopping

.

Sarah Langdon (ICR)

11:55

12:30

Impact of Machine Learning in Predictive ADME and Kinase Selectivity .[Slides]

Steve Wilkens (Takeda California)

12:30

12:50

Poster Introductions (2-3mins each)

12:50

14:00

Lunch and posters

Session 3

(Chair) Andrew Leach

14:00

14:35

Predictions: Pairwise versus Models.[Slides]

Mark Gardner (Salvensis)

14:35

15:00

Virtual cocrystal screening.

Tudor Grecu (Sheffield Univ)

15:00

15:30

Tea/Coffee

Session 4

(Chair) Andrew Leach

15:30

15:55

How do metabolites differ from their parent molecules and how are they excreted?

[Slides]

Johannes Kirchmair (Cambridge Univ)

15:55

16:30

Chirality and Racemisation: computational studies

[Slides]

Andrew Leach (John Moores Univ)

16:30

16:35

Closing Remarks

Andrew Leach

Posters from the meeting can be viewed by clicking the titles below