seems to have got stuck - trying again...
-------- Original Message --------
Subject: Re: [Rdkit-discuss] RDKit-based implementation of QED
(quantitative estimation of drug-likeness)
Date: Mon, 11 Jun 2012 06:57:28 +0100
From: Paul Emsley <paul.ems...@bioch.ox.ac.uk>
To: rdkit-discuss@lists.sourceforge.net
<rdkit-discuss@lists.sourceforge.net>
On 30/03/12 15:27, Hans De Winter wrote:
Hi -
A RDKit-based implementation of the QED measure as described by
Richard Bickerton (Nature Chemistry, 2012, 4, 90-98) has been
implemented and made available for download from our website (
www.silicos-it.com <http://www.silicos-it.com> > Biscu-it).
Hi Hans,
Can I encourage you (as Greg does) to add a copyright notice and a
reference to the licence at the top of the files?
Where do the alert SMARTS come from?
Cheers,
Paul.
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
