Meetings

Spring Meeting 1999

Pfizer Sandwich
Sandwich, UK

The Spring 1999 Meeting of the UK QSAR & ChemoInformatics Group was held at Pfizer on Tuesday 27 April. The focus was on recent efforts to quantify drug design, with presentations on recognising drug attributes (Chris Lipinski) and their estimation (Dave Clark, Jens Loesel), design of combinatorial libraries (Val Gillet), high throughput screening (Jeff Morris, Tim Clark) and considerations for receptor interactions (Simon Teague).

Presentations

  • David Clark (Rhone-Poulenc Rorer, UK)
    Rapid Calculation of Polar Molecular Surface Area and Application to the Prediction of Transport Phenomena [Slides]
  • Tim Clark (University of Erlangen, Germany)
    High Throughput Virtual Screening [Slides]
  • Val Gillet (University of Sheffield, UK)
    Combinatorial Libraries to Optimise Diversity and Physical Properties [Slides]
  • Chris Lipinski (Pfizer Groton, USA)
    Drug Structures and Properties, Past and Present. Can We Design Drugs with “Beautiful” Properties? [Slides] [Slides]
  • Jens Loesel (Pfizer Sandwich, UK)
    IAFs – Empirical Descriptors for non-Covalent Interactions [Slides]
  • Jeff Morris (Zeneca, UK)
    Some Expectations from HTS [Slides]
  • Simon Teague (Astra Charnwood, UK)
    Failure of Rigid Receptor Hypothesis (Part 1) [Slides]
  • Simon Teague (Astra Charnwood, UK)
    Failure of Rigid Receptor Hypothesis (Part 2) [Slides]

Abstracts

Presentation: David Clark
Rapid Calculation of Polar Molecular Surface Area and Application to the Prediction of Transport Phenomena

Rhone-Poulenc Rorer, UK [Slides]

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Presentation: Tim Clark
High Throughput Virtual Screening

University of Erlangen, Germany [Slides]

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Presentation: Val Gillet
Combinatorial Libraries to Optimise Diversity and Physical Properties

University of Sheffield, UK [Slides]

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Presentation: Chris Lipinski
Drug Structures and Properties, Past and Present. Can We Design Drugs with “Beautiful” Properties?

Pfizer Groton, USA [Slides]

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Presentation: Jens Loesel
IAFs – Empirical Descriptors for non-Covalent Interactions

Pfizer Sandwich, UK [Slides]

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Presentation: Jeff Morris
Some Expectations from HTS

Zeneca, UK [Slides]

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Presentation: Simon Teague
Failure of Rigid Receptor Hypothesis (Part 1)

Astra Charnwood, UK [Slides]

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Presentation: Simon Teague
Failure of Rigid Receptor Hypothesis (Part 2)

Astra Charnwood, UK [Slides]

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