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: geo...@pitt.edu 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 OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
