One recent paper using a pretty simple methodology is http://www.jcheminf.com/content/1/1/8
On Wed, Nov 3, 2010 at 11:24 AM, Geoffrey Hutchison <[email protected]> wrote: > Hi, > > I have a general cheminformatics question, since this isn't my active area of > research. What are some current, state-of-the-art packages for predicting > synthetic accessibility? References? I'm aware of SYLVIA / THERESA and CAESA. > > I'm particularly interested in research that can handle de novo molecular > design and fused aromatic ring systems. (evil grin) > > Thanks for any suggestions, > -Geoff > > --- > Prof. Geoffrey Hutchison > Department of Chemistry > University of Pittsburgh > tel: (412) 648-0492 > email: [email protected] > web: http://hutchison.chem.pitt.edu/ > > > ------------------------------------------------------------------------------ > Achieve Improved Network Security with IP and DNS Reputation. > Defend against bad network traffic, including botnets, malware, > phishing sites, and compromised hosts - saving your company time, > money, and embarrassment. Learn More! > http://p.sf.net/sfu/hpdev2dev-nov > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > -- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ Achieve Improved Network Security with IP and DNS Reputation. Defend against bad network traffic, including botnets, malware, phishing sites, and compromised hosts - saving your company time, money, and embarrassment. Learn More! http://p.sf.net/sfu/hpdev2dev-nov _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
