Copyright©2009 Antony Williams
Following on from my blog post earlier today about structure cleaning and depictions I heard from Jonathan Brecher at Cambridgesoft. I have much respect for Jonathan and, during my years at ACD/labs, we were competitive in the marketplace with our different software packages but enjoyed a lot of great conversations about the marketplace, chemical structure representations and chemical nomenclature. Jonathan prompted me to take a look athe ChemDraw‘s ability to perform structure cleaning and forwarded methe result of cleaning the InChI from my blog post. VERY impressive compared with the other results I saw today. Since then I have tested the cleaning algorithm on 10s of other structures and it has NOT yet disappointed. Definitely very impressed with what I have seen today. Jonathan…nice job sir! Your point is proven with me.