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Introduction to Photostability
Integrated Tablet Formulation Development
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A Practical Introduction to
June 27th - June 30th, 2006
| Type | Course cheminformatics |
|---|---|
| Language | English |
| Date |
June 27, 2006
to June 30, 2006 |
| Venue |
University of Sheffield , |
| Chemistry Specialties |
|
| Chemistry Techniques |
|
| Contact |
Dr. Val Gillet , GB 0114 222 2652 v.gillet@shef.ac.uk |
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by
ChemWeb Editor
—
last modified
02-06-06 11:58 AM
This intensive short course is intended to provide an introduction to the major aspects of chemoinformatics, with particular emphasis on applications in modern drug discovery. The course will comprise a mixture of hands-on workshops, lectures, and informal discussions. A key focus will be on the underlying rationale/theory, rather than teaching which buttons to press in a particular piece of software. Two key learning objectives are: * What is the most appropriate method (or methods) to use for a particular problem? * Why does a particular method give a particular result?
* 2D databases and database searching
(substructure search, virtual screening, property searching, similarity searching)
* Diversity and compound selection
(clustering, DBCS, cell-based approaches)
* Quantitative Structure Activity Relationships
* Computational methods for 3D
(introduction to molecular mechanics and conformation analysis)
* 3D databases
(experimental data sources, database searching, pharmacophore generation)
* Combinatorial libraries
(molecular descriptors, diversity vs focussed library design, lead- and drug-like concepts, enumeration and monomer selection)
* Analysis of high-throughput screening data
(data mining, data visualisation)
Cost
The registration fee of £675 covers all tuition, the necessary computing facilities and handouts, accommodation, meals and refreshments and the special course dinner on Thursday 29th June.