9:00
|
Welcome and Introduction
SMILES
SMILES lab
Daylight/Oracle Cartridge - Jack Delany
Installation
lab
Overall capabilities, the toolkit object view
lab
10:30
| Coffee, tea, snack break each day.
|
11:00
|
SMARTS
Rxn SMILES,SMIRKS
SMARTS lab
Servers & users
lab
Programming with the toolkit
PyDaylight - Andrew Dalke
lab
12:30
|
Lunch at the Radisson Hotel each day.
|
1:30
|
fingerprints and TDTs
apps: xvmerlin, xvthor, xvpcmodels, etc.
lab
Customization, databases
lab
Web programming: CGIs, JavaGRINS- Ragu Bharadwaj
Contrib examples
CIS at Novartis - Peter Ertl
3:00
|
Coffee, tea, snack break each day.
|
3:30
|
JavaGRINS - Ragu Bharadwaj
apps: cluster package,rubicon, web interfaces
lab
lab
Cheminformatics, Present and Future - Dave Weininger
lab
3rd Party Software
5:00
|
Sessions end at 5:00 each day.
|
|
6:00pm - group transportation to banquet
6:30pm - Banquet at Ore House on the Plaza
|
|
| | | | | | | | | | | | |