{"id":232,"date":"2011-07-28T10:32:57","date_gmt":"2011-07-28T09:32:57","guid":{"rendered":"http:\/\/www.ukqsar.org\/?p=232"},"modified":"2017-03-28T11:02:56","modified_gmt":"2017-03-28T11:02:56","slug":"autumn-2012","status":"publish","type":"post","link":"https:\/\/ukqsar.org\/index.php\/2011\/07\/28\/autumn-2012\/","title":{"rendered":"Autumn Meeting 2012 (Slides\/Posters now available)"},"content":{"rendered":"

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

Further information regarding travel\u00a0 in Cambridge can be found here<\/a><\/p>\n

The presentation Slides can be viewd by clicking on the [Slides] links in the Agenda below<\/p>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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UK-QSAR & Cheminformatics Group Meeting 8th November 2012<\/strong><\/p>\n<\/td>\n<\/tr>\n

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Start<\/strong><\/p>\n<\/td>\n

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End<\/strong><\/p>\n<\/td>\n

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Topic<\/strong><\/p>\n<\/td>\n

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Speaker<\/strong><\/p>\n<\/td>\n<\/tr>\n

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09:00<\/p>\n<\/td>\n

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09:30<\/p>\n<\/td>\n

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Registration<\/p>\n<\/td>\n

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Session 1<\/strong><\/p>\n<\/td>\n

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(Chair) David Livermore<\/strong><\/p>\n<\/td>\n<\/tr>\n

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09:30<\/p>\n<\/td>\n

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09:35<\/p>\n<\/td>\n

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Group business<\/p>\n<\/td>\n

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Andrew Leach<\/p>\n<\/td>\n<\/tr>\n

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09:35<\/p>\n<\/td>\n

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09:50<\/p>\n<\/td>\n

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Welcome and Introduction to Takeda Cambridge<\/p>\n

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Andy Ayscough (Takeda Cambridge)<\/p>\n<\/td>\n<\/tr>\n

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09:50<\/p>\n<\/td>\n

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10:25<\/p>\n<\/td>\n

Computational Tools for Facilitating the Fragment to Lead Process<\/a>.[Slides<\/a>]<\/td>\n\n

Ian Wall (GSK)<\/p>\n<\/td>\n<\/tr>\n

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10:25<\/p>\n<\/td>\n

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11:00<\/p>\n<\/td>\n

From Genome to Informed Design – some experiences with FBDD and Protein Kinases<\/a>.[Slides<\/a>]<\/td>\n\n

David Bailey (IOTA\/Kinomed)<\/p>\n<\/td>\n<\/tr>\n

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11:00<\/p>\n<\/td>\n

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11:30<\/p>\n<\/td>\n

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Tea\/Coffee<\/p>\n<\/td>\n

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Session 2<\/strong><\/p>\n<\/td>\n

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(Chair) David Livermore<\/strong><\/p>\n<\/td>\n<\/tr>\n

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11:30<\/p>\n<\/td>\n

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11:55<\/p>\n<\/td>\n

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Identifying Medicinal Chemistry Relevant Scaffolds for Scaffold Hopping<\/a><\/p>\n

.<\/p>\n<\/td>\n

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Sarah Langdon (ICR)<\/p>\n<\/td>\n<\/tr>\n

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11:55<\/p>\n<\/td>\n

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12:30<\/p>\n<\/td>\n

Impact of Machine Learning in Predictive ADME and Kinase Selectivity<\/a>\u00a0<\/a>.[Slides<\/a>]<\/td>\n\n

Steve Wilkens (Takeda California)<\/p>\n<\/td>\n<\/tr>\n

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12:30<\/p>\n<\/td>\n

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12:50<\/p>\n<\/td>\n

Poster Introductions (2-3mins each)<\/td>\n<\/td>\n<\/tr>\n
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12:50<\/p>\n<\/td>\n

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14:00<\/p>\n<\/td>\n

Lunch and posters<\/td>\n<\/td>\n<\/tr>\n
<\/td>\n<\/td>\n\n

Session 3<\/strong><\/p>\n<\/td>\n

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(Chair) Andrew Leach<\/strong><\/p>\n<\/td>\n<\/tr>\n

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14:00<\/p>\n<\/td>\n

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14:35<\/p>\n<\/td>\n

Predictions: Pairwise versus Models<\/a>.[Slides<\/a>]<\/td>\n\n

Mark Gardner (Salvensis)<\/p>\n<\/td>\n<\/tr>\n

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14:35<\/p>\n<\/td>\n

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15:00<\/p>\n<\/td>\n

Virtual cocrystal screening<\/a>.<\/td>\n\n

Tudor Grecu (Sheffield Univ)<\/p>\n<\/td>\n<\/tr>\n

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15:00<\/p>\n<\/td>\n

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15:30<\/p>\n<\/td>\n

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Tea\/Coffee<\/p>\n<\/td>\n

<\/td>\n<\/tr>\n
<\/td>\n<\/td>\n\n

Session 4<\/strong><\/p>\n<\/td>\n

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(Chair) Andrew Leach<\/strong><\/p>\n<\/td>\n<\/tr>\n

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15:30<\/p>\n<\/td>\n

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15:55<\/p>\n<\/td>\n

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How do metabolites differ from their parent molecules and how are they excreted?<\/a><\/p>\n

[Slides<\/a>]<\/p>\n<\/td>\n

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Johannes Kirchmair (Cambridge Univ)<\/p>\n<\/td>\n<\/tr>\n

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15:55<\/p>\n<\/td>\n

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16:30<\/p>\n<\/td>\n

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Chirality and Racemisation: computational studies<\/a><\/p>\n

[Slides<\/a>]<\/p>\n<\/td>\n

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Andrew Leach (John Moores Univ)<\/p>\n<\/td>\n<\/tr>\n

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16:30<\/p>\n<\/td>\n

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16:35<\/p>\n<\/td>\n

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Closing Remarks<\/p>\n<\/td>\n

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Andrew Leach<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

Posters from the meeting can be viewed by clicking the titles below<\/p>\n