25 Tuesday | 26 Wednesday | 27 Thursday | 28 Friday | |
---|---|---|---|---|
8:30 | Continental breakfast in breakout room | |||
9:00 |
Welcome
Orientation
Daylight Release 4.81 |
Managing Merlin-like hitlists with Daycart
A High Throughput Discovery Platform
Software Architecture to Support the
Compound Discovery Process |
Planet - Protein-Ligand Association Network
Empath - Metabolic Pathway Chart
Fedora - Federation of Research Assets |
CHILE lectures
Plans / Futures |
10:30 | Coffee, tea, snacks, and discussion | |||
11:00 |
HTTP Toolkit
Property Package
Licensing Features |
cQSAR -> Daycart
A Consortium Approach to
Toxicity Prediction |
WOMBAT
Capturing Chemistry - WYSIWYG in the World
of Mechanism and Chemical Transformations
Yet Another Enumeration Tool Group Photo |
Open discussion |
12:00/12:30 |
Lunch at hotel, 12:30 on Tuesday, Thursday and 12:00 on Wednesday | |||
2:00 |
Daycart Databases
Structure Clustering Using Asymmetry
Twisted SMILES? Proposed Conformation Codes
HTTP Toolkit Workshop
|
Free afternoon Horseback Riding at Bishops Lodge
"Me and Issac Newton"
|
Good Clean Fun; SOAP
Web-services for Cheminformatics
Using Descriptor Counts in Clustering
Tuneable Similarity |
Teardown |
3:30
| Hands-on & demos | Hands-on & demos | ||
5:00 | Free evening |
6:00: Dinner |
Partner Demo Session, Hacking, etc. 7:30p
PyDaylight
Modgraph Demo
ChemCart
PyMol
Mesa Analytics |