SELFIES and the future of molecular string representations.

Mario Krenn Qianxiang Ai Senja Barthel Nessa Carson Angelo Frei Nathan C. Frey Pascal Friederich Théophile Gaudin Alberto Alexander Gayle Kevin Maik Jablonka Rafael F. Lameiro Dominik Lemm Alston Lo Seyed Mohamad Moosavi José Manuel Nápoles-Duarte AkshatKumar Nigam Robert Pollice Kohulan Rajan Ulrich Schatzschneider Philippe Schwaller Marta Skreta Berend Smit Felix Strieth-Kalthoff Chong Sun Gary Tom Guido Falk von Rudorff Andrew Wang Andrew D. White Adamo Young Rose Yu Alán Aspuru-Guzik

Published in: CoRR (2022)

Keyphrases

long term
data structure
information retrieval
database
real time
neural network
data mining
search engine
website
higher level
predicting future
distributed representations
van der waals