Rethinking Tautomer Representation
Depth-First,
A unified approach to dealing with tautomers and electron delocalization.
A unified approach to dealing with tautomers and electron delocalization.
Building a base layer for third-party InchI readers and writers.
Toward lossless encoding and decoding for new applications.
jcheminf.biomedcentral.com - The amount of data available on chemical structures and their properties has increased steadily…