Alex Drijver (ChemAxon) provides an overview of this potential Pistoia Alliance working group during the "Dragons' Den" session at the Pistoia Alliance Conference in Boston, MA, on April 24, 2012.

1. The Pistoia ASV
Project ...
An Emerging Vehicle for Collaboration:
NMR Spectra data exchange
The Pistoia Alliance
Alex Drijver on behalf of John Hollerton, Giles Ratcliffe and John Wise
Pistoia Conference http://pistoiaalliance.org
24th April 2012

2. What’s up doc?
„Too much data ... ?”
„No, too little time ...”
„For what?”
„To analyze the NMR data on compounds I
buy for screening..”

3. If only I had ...
ASV
The small print .. Automatic Structure Verification ...

4. What’s up doc?
„Too much data ... ?”
„No, too little ...”
„For what?”
„To make a reliable algorithm that will
validate structures based on NMR spectra”

6. What if...
A data set of qualified structures and NMR
spectra existed
Contributed by pharma (or other) =
chemical diversity
Available to software developers
With a control set for validation

7. The Money bit
Data contributed free of charge
Data available free of charge
Data curator and program administrator
Cost of labor and of system
say 1 FTE/year @ $120,000
Open contribution (money and structures)
Systematic/pragmatic

8. Rules
• Contribution of data based on size (issue
of how to measure)
• Only participating providers of data can
get the validation data set
• No limitation on who can use the test set
• ASV’s sold on commercial terms
• Financial contribution needed for
maintaining the infrastructure

9. WIFM
• Pharma
– Time - which is money 
• Software providers
– Industry relevant software – which means
money 
• CROs
– Could provide value-add from validating
structures prior to sale – which means money
