Depth-First: Can Your Cheminformatics Tool Do This?

Can Your Cheminformatics Tool Do This?

Rich Apodaca — Wed, 13 Jun 2007 08:36:00 +0000

"Can Your Cheminformatics Tool Do This?" by Richard Apodaca

Wed, 13 Jun 2007 12:55:00 +0000

Chris -all are, of course, important. But my main interest was in accurately representing the axial chirality of the allene.

"Can Your Cheminformatics Tool Do This?" by Christoph Steinbeck

Wed, 13 Jun 2007 12:48:22 +0000

In what sense? Represent the chemical information in the drawing? Draw this? Predict the outcome of the reaction, given the educts and conditions? :-) Cheers, Chris