Content
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)