SELFIES and the future of molecular string representations

Krenn, Mario, Ai, Qianxiang, Barthel, Senja et al. (28 more authors) (2022) SELFIES and the future of molecular string representations. Patterns (New York, N.Y.). 100588. ISSN 2666-3899

Abstract

Metadata

Item Type: Article
Authors/Creators:
  • Krenn, Mario
  • Ai, Qianxiang
  • Barthel, Senja
  • Carson, Nessa
  • Frei, Angelo ORCID logo https://orcid.org/0000-0001-6169-2491
  • Frey, Nathan C
  • Friederich, Pascal
  • Gaudin, Théophile
  • Gayle, Alberto Alexander
  • Jablonka, Kevin Maik
  • Lameiro, Rafael F
  • Lemm, Dominik
  • Lo, Alston
  • Moosavi, Seyed Mohamad
  • Nápoles-Duarte, José Manuel
  • Nigam, AkshatKumar
  • Pollice, Robert
  • Rajan, Kohulan
  • Schatzschneider, Ulrich
  • Schwaller, Philippe
  • Skreta, Marta
  • Smit, Berend
  • Strieth-Kalthoff, Felix
  • Sun, Chong
  • Tom, Gary
  • Falk von Rudorff, Guido
  • Wang, Andrew
  • White, Andrew D
  • Young, Adamo
  • Yu, Rose
  • Aspuru-Guzik, Alán
Copyright, Publisher and Additional Information:

© 2022 The Author(s).

Dates:
  • Published: 14 October 2022
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Chemistry (York)
Depositing User: Pure (York)
Date Deposited: 28 Mar 2025 14:50
Last Modified: 29 Mar 2025 00:12
Published Version: https://doi.org/10.1016/j.patter.2022.100588
Status: Published
Refereed: Yes
Identification Number: 10.1016/j.patter.2022.100588
Open Archives Initiative ID (OAI ID):

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Description: SELFIES and the future of molecular string representations

Licence: CC-BY-NC-ND 2.5

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