SmithKline Beecham
Harlow, Essex

The meeting was organised by Chris Naylor and David Livingstone. It covered a wide range of topics. The theme of Library design and rapid calculation of ADME parameters came through very strongly with lectures from Frank Burden, Stephen Pickett, Jamie Platts and Stephen Garland. Methods of exploring lead identification from natural sources was investigated by Dave Livingstone, new ways of applying QM derived parameters for QSAR discussed by Sean O’Brien and Paul Popelier and rapid superimposition methods from James Mills.

Presentations

• Frank Burden (Monash University)
  Methods for Simulating Combinatorial Discovery: Novel QSAR Methods for Exploring Chemical Space [Slides]
• Mark Cronin (Liverpool John Moores University, UK)
  QSAR Prediction of Henry’s Law Constant [Slides]
• Steve Garland (SmithKline Beecham Harlow, UK)
  Virtually Anything
• Dave Livingstone (ChemQuest, UK)
  Improving lead discovery from Natural Products [Slides]
• James Mills (Pfizer Central Research, UK)
  SLATE: a method for the superpositon of flexible ligands [Slides]
• Sean O’Brien (Umist, UK)
  Quantum Molecular Similarity and QSAR (Part 2) [Slides]
• Stephen Pickett (Rhone-Poulenc Rorer, UK)
  Enhancing Hit-To-Lead Properties of Diverse Libraries
• Jamie Platts (Cardiff University, UK)
  Rapid, Automated Prediction of Abraham LSER Descriptors [Slides]
• Paul Popelier (Umist, UK)
  Quantum Molecular Similarity and QSAR (Part 1) [Slides]

Abstracts

Presentation: Frank Burden
Methods for Simulating Combinatorial Discovery: Novel QSAR Methods for Exploring Chemical Space

Monash University [Slides]

HASH(0x35c2590)

Presentation: Mark Cronin
QSAR Prediction of Henry’s Law Constant

Liverpool John Moores University, UK [Slides]

HASH(0x35c3040)

Presentation: Steve Garland
Virtually Anything

SmithKline Beecham Harlow, UK

HASH(0x35c5c68)

Presentation: Dave Livingstone
Improving lead discovery from Natural Products

ChemQuest, UK [Slides]

HASH(0x35c3364)

Presentation: James Mills
SLATE: a method for the superpositon of flexible ligands

Pfizer Central Research, UK [Slides]

HASH(0x35c5968)

Presentation: Sean O’Brien
Quantum Molecular Similarity and QSAR (Part 2)

Umist, UK [Slides]

HASH(0x35c2d1c)

Presentation: Stephen Pickett
Enhancing Hit-To-Lead Properties of Diverse Libraries

Rhone-Poulenc Rorer, UK

HASH(0x35c56bc)

Presentation: Jamie Platts
Rapid, Automated Prediction of Abraham LSER Descriptors

Cardiff University, UK [Slides]

HASH(0x35c26d4)

Presentation: Paul Popelier
Quantum Molecular Similarity and QSAR (Part 1)

Umist, UK [Slides]

HASH(0x35c29f8)