From rgab@proteus.co.uk Fri Jul 11 10:06:26 1997 Received: from petersgate.proteus.co.uk for rgab@proteus.co.uk by www.ccl.net (8.8.3/950822.1) id JAA07220; Fri, 11 Jul 1997 09:49:50 -0400 (EDT) Received: from Icthus.proteus.co.uk (Icthus [193.115.24.114]) by petersgate.proteus.co.uk (8.6.12/8.6.6) with ESMTP id OAA28712; Fri, 11 Jul 1997 14:12:26 GMT Message-Id: <199707111412.OAA28712@petersgate.proteus.co.uk> From: Richard Bone Date: Fri, 11 Jul 1997 14:39:10 +0100 To: CHEMISTRY@www.ccl.net Subject: SMILES Database? Cc: diversity@LISTSERV.ARIZONA.EDU Does anyone know of a public-domain database of SMILES strings for commonly- occurring small organic molecules and functional groups? I'm looking for something containing several hundred or more species. It would need to be something in ASCII format, for general utility, i.e., not in a format specific to some commercial package. Richard Bone P.S. #1 - Yes - I've done a web-search already; P.S. #2 - No, I don't have the Daylight software here. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | Richard G. A. Bone, Ph.D. | | | Senior Computational Chemist | | | Proteus Molecular Design Ltd. | Tel: +44 (0)1625 500555 | | Lyme Green Business Park | Fax: +44 (0)1625 500666 | | Macclesfield, Cheshire | Email: rgab@proteus.co.uk | | United Kingdom SK11 0JL | Web: http://www.proteus.co.uk | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~