Subject: QSAR data set with experimental spectra

From: "E.L. Willighagen" <[email-masked]>
Date: Mon, 6 Jan 2003 16:21:23 +0100 (MET)

Hi all,

Today I've browsed the internet for QSAR data sets of compounds with
experimental IR/NMR/mass spectra. I've found a few small data sets with
'simple' compounds for which I could look up the spectra, but these are
actually not large enough. 

Are there large (>100 compounds) data sets with associated biological
activities with the IR/NMR/mass spectra available?

Looking forward to hear your ideas and suggestions,

kind regards,

Egon Willighagen