Centre for Molecular Design (CMD)

Lectures and Talks

B. D. Hudson
Biological data mining: high fidelity rule extraction from trained neural networks
EURO QSAR 2002, Sept 8-13, Bournemouth, UK.
D. W. Salt
A rapid, cost-effective method for estimating pharmacokinetic and pharmacodynamic parameters from time/dose/response relationships: an application based on crop protection
EURO QSAR 2002, Sept 8-13, Bournemouth, UK.
D. C. Whitley
Molecular surface property graphs
EURO QSAR 2002, Sept 8-13, Bournemouth, UK.
M. G. Ford
Recent Advances in Computer-Aided Drug Design
Unilever Centre for Molecular Informatics, Febuary 2002.

M. G. Ford
Extended chemical fingerprints and QSAR directed library design
CMTPI-2001, University of Bordeaux, Bordeaux, June 2001.
M. G. Ford
Invited platform presentation on computer-aided drug design
5th World Multi-Conference on Systemics, Cybernetics and Informatics (SCI2001), Orlando, Florida, USA July 2001.
M. G. Ford
New QSAR Procedures for Drug Design.
MGMS Conference, Erlangen, September 2001.
M. G. Ford
Finding lead compounds using extended chemical fingerprints
EuroMug2001, Cambridge, September 2001.

2000

D. C. Whitley
Toplogical Motifs for Drug Design
Computation in Cells: An EPSRC Emerging Computing Paradigms Workshop, University of Hertfordshire, April 2000.

1998

L. J. Adams
Molecular Modelling of pyrrolobenzodiazepines
MGMS Young Modellers' Forum hosted by Glaxo-Wellcome, November 1998.
M G. Ford
Chairman of session on Computational aspects of molecular diversity and combinatorial libraries
12th European Symposium on QSAR, Copenhagen, August 1998.
D. J. Livingstone
UK Tripos User Group Meeting, Bath, April 1998.
D. J. Livingstone
Perspectives in Drug Design
A.V. Bogatsky Physico-Chemical Institute, Odessa, Ukraine, September 1998.
D. J. Livingstone
Perspectives in Drug Design
Institute of Bioorganic and Petroleum Chemistry, Kiev, Ukraine, September 1998.
J. Wansbury
Molecular modelling studies of non-oxide structures containing transition metals
7th ICI Symposium on Catalytic Chemistry, Darlington, County Durham, May 1998.
J. Wansbury
Molecular modelling studies of non-oxide structures containing transition metals
MGMS Young Modellers' Forum hosted by Glaxo-Wellcome, November 1998.

P. A. Cox
Polar Solids Discussion Group Meeting, University of Liverpool, December 1997.
J. A. Malpass
Further Adventures in Continuum Regression
UK QSAR User Group Meeting, hosted by Astra Charnwood, Loughborough, October 1997.
P. A. Cox
Faraday Discussions, London, July 1997.
M. K. Smith
A QSAR Study of Mutagenicity Using a Range of Physicochemical Descriptors
UK QSAR User Group Meeting, hosted by RPR, Dagenham, May 1997.
M. K. Smith
The Use of a Molecular Descriptor, EVA, in a QSAR Study of Mutagenicity
Bioactive Molecules, Research Approaches, Physicochemical and Biophysical Panel of the Pesticides Group of the SCI, hosted by Glaxo-Wellcome, Stevenage, April 1997.

P. A. Cox
UK QSAR User Group Meeting, hosted by the University of Portsmouth, April 1996.
M. Lipkin
Multiple Field Alignment of Flexible Molecules
11th European Symposium on Quantitative Structure-Activity Relationships, Lausanne, September 1996.
D. J. Livingstone
Co-Chairman of the Session Computational Approaches in Drug Disposition
11th European Symposium on QSAR, Lausanne, September 1996.
D. J. Livingstone
Integrating Toxicity Prediction with Computer aided Drug Design
Invited speaker at the BIBRA symposium, "Computer based prediction of toxicity and metabolism", London, June 1996.

D. C. Whitley
Topological Shape Descriptors
UK QSAR User Group Meeting, hosted by Glaxo, Stevenage, October 1995.
A. P. Stevens
Computer Modelling Studies of Zeolite Synthesis
NATO Advanced Study Institute Workshop, Lucca, Italy, September 1995.
D. J. Livingstone
Artificial Neural Networks as an alternative to statistics
Invited speaker at the SCI symposium "Design of bio-active compounds: possibilities for industrial applications", Potsdam, September 1995.
D. J. Livingstone
Data modelling with neural networks - An answer to a maiden's prayer?
Keynote speaker at the 14th Molecular Graphics and Modelling Society Conference "Molecular Design Down Under", Cairns, Australia, August 1995.
D. J. Livingstone
Multivariate Data Display using Neural Networks
Invited speaker to the 2nd International workshop on Neural networks and genetic algorithms applied to QSAR and Drug Design, Lyon, France, June 1995.
A. P. Stevens
The Use of Novel Computer Methods in Rationalising Zeolite Synthesis
18th Annual British Zeolite Association Conference, Portsmouth, April 1995.
A. P. Stevens
Computer Modelling Studies of Zeolite Synthesis
Polar Solids Discussion Group Meeting, Oxford, March 1995.
D. J. Livingstone
Problems and pitfalls in QSAR
Invited speaker to the EVCAM workshop "The integrated use of alternative approaches for predicting toxic hazard", Angera, Italy, January 1995.

D. J. Livingstone
QSAR techniques applied to 5HT3 Receptor antagonists
Invited speaker to the 2nd Bath International Symposium on Medicinal Chemistry, Bath, UK, September 1994.
D. C. Whitley
Topological Descriptors of Molecular Shape
UK/Scandinavian Tripos User Group Meeting, Stratford, September 1994.
D. J. Livingstone
QSAR in the real world
Invited speaker to the Joint mtg with MGMS, Chemical Structure Association, RSC Computer Applications Group and UK QSAR Discussion Group - "The chemical information explosion - chaos, chemists and computers", Reading, UK, September 1994.
D. J. Livingstone
The Trouble with Chemometrics...
Plenary lecturer in the chemometrics session of the 10th European Symposium on QSAR, Barcelona, Spain, September 1994.
D. J. Livingstone
New Techniques in Lead Optimisation by QSAR
Invited speaker at the meeting "Accelerating the Drug Discovery Process - Part II: Lead optimisation", Heathrow, UK, June 1994.

J. A. Malpass
An Introduction to Continuum Regression
UK Chemometrics User Group Meeting, hosted by IFR, Reading, November 1993.
D. J. Livingstone
Neural Networks in QSAR: Uses and Abuses
Invited speaker to the Gordon Conference on QSAR, Tilron, New Hampshire, August 1993.
D. J. Livingstone
Computational Techniques for the Prediction of Toxicity
Invited speaker to the meeting "Practical in vitro Toxicology" Nottingham, UK, July 1993.
J. A. Malpass
Continuum Regression
UK QSAR User Group Meeting, hosted by Fisons, Loughborough, April 1993.