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)