62 citations · 93 across the 3 of their papers we have counts for
3 papers
CompleteRXN: Toward Completing Open Chemical Reaction Databases
Gabriel Vogel, Minouk Noordsij, Evgeny Pidko +1
Chemical reaction datasets such as USPTO suffer from substantial incompleteness, frequently missing byproducts, co-reactants, and stoichiometric coefficients. This limits their app…
Learning from flowsheets: A generative transformer model for autocompletion of flowsheets
Gabriel Vogel, Lukas Schulze Balhorn, Artur M. Schweidtmann
We propose a novel method enabling autocompletion of chemical flowsheets. This idea is inspired by the autocompletion of text. We represent flowsheets as strings using the text-bas…
SFILES 2.0: An extended text-based flowsheet representation
Gabriel Vogel, Edwin Hirtreiter, Lukas Schulze Balhorn +1
SFILES are a text-based notation for chemical process flowsheets. They were originally proposed by d'Anterroches (Process flow sheet generation & design through a group contributio…