Meetings

Spring Meeting 2006

Accelrys
Cambridge, UK

Presentations

  • Nico Adams (University of Cambridge, UK)
    Predicting Thermochemical Parameters of Oxygen-containing Heterocycles using simple QSPR models
  • Mohammad Afshar (Ariana Pharma, France)
    Rule-based multi-objective decision support: a new paradigm for structure activity analysis and prediction
  • Daniel Almonacid (Unilever Centre for Molecular Informatics, University of Cambridge, UK)
    MACiE v2: Towards Understanding the Repertoire of Enzyme Catalysis
  • Remy Hoffmann and Richard Compton (Accelrys, UK)
    Welcome
  • Robert Glenn (Unilever Centre for Molecular Sciences Informatics, Cambridge, UK)
    Virtual screening: The King (quite often) has no clothes [Slides]
  • Mike Hann (GSK, UK)
    Computational Chemistry – twenty odd years of what we still can’t do [Slides]
  • David Palmer (University of Cambridge, UK)
    Novel Methods for the Prediction of Solubility
  • Dave Ritchie (University of Aberdeen, UK)
    Protein Docking and Molecular Shape Recognition using Polar Fourier Correlations [Slides] [Slides]
  • Andy Davis and Sarah Rodgers (AstraZeneca, UK)
    ADME QSAR – Further Experiences of a Chemical Fortune-teller

Abstracts

Presentation: Nico Adams
Predicting Thermochemical Parameters of Oxygen-containing Heterocycles using simple QSPR models

University of Cambridge, UK

HASH(0x3619714)

Presentation: Mohammad Afshar
Rule-based multi-objective decision support: a new paradigm for structure activity analysis and prediction

Ariana Pharma, France

HASH(0x366f430)

Presentation: Daniel Almonacid
MACiE v2: Towards Understanding the Repertoire of Enzyme Catalysis

Unilever Centre for Molecular Informatics, University of Cambridge, UK

HASH(0x3619468)

Presentation: Remy Hoffmann and Richard Compton
Welcome

Accelrys, UK

HASH(0x3616498)

Presentation: Robert Glenn
Virtual screening: The King (quite often) has no clothes

Unilever Centre for Molecular Sciences Informatics, Cambridge, UK [Slides]

HASH(0x3618b44)

Presentation: Mike Hann
Computational Chemistry – twenty odd years of what we still can’t do

GSK, UK [Slides]

HASH(0x3616564)

Presentation: David Palmer
Novel Methods for the Prediction of Solubility

University of Cambridge, UK

HASH(0x3618e44)

Presentation: Dave Ritchie
Protein Docking and Molecular Shape Recognition using Polar Fourier Correlations

University of Aberdeen, UK [Slides]

HASH(0x36190f0)

Presentation: Andy Davis and Sarah Rodgers
ADME QSAR – Further Experiences of a Chemical Fortune-teller

AstraZeneca, UK

HASH(0x3618898)