Naive Balsa Canonicalization
Depth-First,
A ground-up approach to unique molecular naming.
A ground-up approach to unique molecular naming.
Toward lossless encoding and decoding for new applications.
Building a mental model for fast graph comparison techniques.
David Weininger passed on last week, and you probably have to be into chemoinformatics for that name to immediately register.
Early on Wednesday I presented my recent paper on Universal SMILES at the New Orleans ACS. This is a canonical SMILES string…
I'll be presenting at the Spring ACS National Meeting in New Orleans in just over a week. The last ACS I was at was three years…
Take a look at our ten most accessed papers for September. Among the most popular articles last month was an article in Journal…
I believe that the Open chemistry community will wish to move towards InChI as the definitive approach for all…