PaperType: Development
5 posts
Reaction SPL-extension of a public document markup standard to chemical reactions
G Schadow, Y Borodina, V Delannée, WD Ihlenfeldt…
ChemRxiv. Cambridge: Cambridge Open Engage; 2022
https://chemrxiv.org/engage/chemrxiv/article-details/61e873330121b948b03266f2
ChemRxiv. Cambridge: Cambridge Open Engage; 2022
https://chemrxiv.org/engage/chemrxiv/article-details/61e873330121b948b03266f2
Human-Readable SMILES: Translating Cheminformatics to Chemistry
Diego Garay-Ruiz, Carles Bo
ChemRxiv. Cambridge: Cambridge Open Engage; 2021;
https://chemrxiv.org/engage/chemrxiv/article-details/60c756634c891931eaad4833
ChemRxiv. Cambridge: Cambridge Open Engage; 2021;
https://chemrxiv.org/engage/chemrxiv/article-details/60c756634c891931eaad4833
ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images
XC Zhang, JC Yi, GP Yang, CK Wu, TJ Hou, DS Cao
Briefings in Bioinformatics 23, (2022) 2, bbac033.
https://doi.org/10.1093/bib/bbac033
Briefings in Bioinformatics 23, (2022) 2, bbac033.
https://doi.org/10.1093/bib/bbac033
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
Wiley Interdisciplinary Reviews: Computational …, 2022
https://doi.org/10.1002/wcms.1603
Wiley Interdisciplinary Reviews: Computational …, 2022
https://doi.org/10.1002/wcms.1603
SELFIES and the future of molecular string representations
Mario Krenn , Qianxiang Ai , Senja Barthel , Nessa Carson , Angelo Frei , Nathan C. Frey , Pascal Friederich , Theophile Gaudin , Alberto Alexander Gayle , Kevin Maik Jablonka , Rafael F. Lameiro , Dominik Lemm , Alston Lo Seyed Mohamad Moosavi , Jos Ìe Manuel Napoles-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 White Adamo Young , Rose Yu , and Alan Aspuru-Guzik
physics.chem-ph 31 Mar 2022.
https://arxiv.org/pdf/2204.00056.pdf
physics.chem-ph 31 Mar 2022.
https://arxiv.org/pdf/2204.00056.pdf