| Thursday morning, 28 October
|
|---|
| 8:30 | Registration (coffee/tea)
|
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| 9:00 |
Welcome and introductions
|
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| 9:15 |
Java Grins with SMARTS
-- Ragu Bharadwaj, Daylight
|
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| 10:00 | Morning coffee/tea
|
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| 10:30 |
Virtual Chemical Stores
-- John Bradshaw, GW
|
|---|
| 11:15 |
adeptserver and
VDB toolkit
-- Dave Weininger, Daylight
|
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| 12:00 | Break for lunch (provided by Daylight)
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Thursday afternoon, 28 October
|
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| 1:30 | Afternoon announcements
|
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| 1:45 |
Tautomer handling
-- Jack Delany, Daylight
|
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| 2:15 |
Evolving virtual libraries with reaction transforms
-- Jeremy Yang, Daylight
|
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| 3:00 | Afternoon coffee/tea
|
|---|
| 3:30 |
Reduced Graphs as Descriptors of Bioactivity
-- Val Gillet, U. Sheffield
|
|---|
| 4:00 | Library design using Daylight in 2D and 3D
-- Andrew Leach, GW
|
|---|
| 4:30 | Modelling absorbtion using 2D descriptors
-- Darko Butina, GW
|
|---|
| 5:00 | Open discussion
|
|---|
| 5:30 | Close
|
|---|
Friday morning, 29 October
|
|---|
| 9:00 | Welcome back, announcements
|
|---|
| 9:15 |
Daylight Oracle Cartridge
-- Jack Delany, Daylight
|
|---|
| 10:00 | Morning coffee/tea
|
|---|
| 10:30 |
Docking
-- Jeff Blaney, Metaphorics
|
|---|
| 11:15 |
VNFS
-- Roger Sayle, Metaphorics
|
|---|
| 12:00 | Break for lunch (provided by Daylight)
|
|---|
Friday afternoon, 29 October
|
|---|
| 1:30 | Afternoon announcements
|
|---|
| 1:45 | AMADEUS - Chemical Structure LIMS
-- Mohan Cashyap, SB
|
|---|
| 2:30 | Hands-on and Demos
(see posted demo times/locations)
MetaSymphony -- Lewis_Jardine, Cherwell
|
|---|
| 4:30 | Headbanging session: computational trends
-- Ragu Bharadwaj, Daylight
|
|---|
| 5:00 | Future plans,
open discussion -- Dave Weininger
|
|---|
| 5:30 | Close
|
|---|
Daylight Chemical Information Systems, Inc.