AI/ML Papers Using InChI

Papers Citing InChI and Using Various AI/ML Applications

Computational methods on food contact chemicals: Big data and in silico screening on nuclear receptors family
Pietro Cozzini; Francesca Cavaliere; Giulia Spaggiari; Gianluca Morelli; Marco Riani
Chemosphere 292 (2022) 133422.
DOI: https://doi.org/10.1016/j.chemosphere.2021.133422
Dynamic Buffer Management in Massively Parallel Systems: A Case on GPUs
Minh Pham; Hao Li; Yongke Yuan; Chengcheng Mou; Kandethody Ramachandran; Zichen Xu; Yicheng Tu

DOI: https://cse.usf.edu/~tuy/pub/tech21-001.pdf
Data Programs at NBS/NIST: 1901–2021
HG Semerjian, DR Burgess
Jf Phys Chem Ref Data 51, 011501 (2022)
DOI: https://doi.org/10.1063/5.0084230
Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study
MAA Ibrahim, AHM Abdelrahman, LA Jaragh Alhadad…
Pharmaceuticals (Basel). 2022 Jan 27;15(2):153.
DOI: https://doi.org/10.3390/ph15020153
A chemical kinetic mechanism for combustion and flame propagation of CH2F2/O2/N2 mixtures
Donald R. Burgess Jr., Valeri I. Babushok, Jeffrey A. Manion
Int. J. Chem. Kinet. 61 (2021)
DOI: https://doi.org/10.1002/kin.21549
A potential role of nitric oxide in postharvest pest control: A review
S.J.Granella, T.R.Bechlin; D.Christa; S.R.M.Coelho
J Saudi Soc Ag Sci (2021).
DOI: https://doi.org/10.1016/j.jssas.2021.12.002
A machine-readable online database for rate coefficients in radical polymerization
Joren Van Herck, Simon Harrisson, Tanja Junkers
Polymer Chemistry, Volume 12, Issue 25, Pages 3688-3692, July 2021
DOI: https://doi.org/10.1039/d1py00544h
Lists of Chemical Warfare Agents and Precursors from International Nonproliferation Frameworks: Structural Annotation and Chemical Fingerprint Analysis.
Costanzi, Stefano; Slavick, Charlotte K.; Hutcheson, Brent O.; Koblentz, Gregory D.; Cupitt, Richard T.
J Chem Inf Model 60 4804-4816 (2020).
DOI: https://www.inchi-trust.org/wp
Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?
Lynch, Iseult; Afantitis, Antreas; Exner, Thomas; Himly, Martin; Lobaskin, Vladimir; Doganis, Philip; Maier, Dieter; Sanabria, Natasha; Papadiamantis, Anastasios G.; Rybinska-Fryca, Anna; Gromelski, Maciej; Puzyn, Tomasz; Willighagen, Egon; Johnston, Blair D.; Gulumian, Mary; Matzke, Marianne; Green Etxabe, Amaia; Bossa, Nathan; Serra, Angela; Liampa, Irene; Harper, Stacey; Tämm, Kaido; Jensen, Alexander CØ; Kohonen, Pekka; Slater, Luke; Tsoumanis, Andreas; Greco, Dario; Winkler, David A.; Sarimveis, Haralambos; Melagraki, Georgia
Nanomaterials (Basel) 10 (2020).
DOI: https://www.inchi-trust.org/wp
Enabling Agile Clinical and Translational Data Warehousing: Platform Development and Evaluation
Helmut Spengler, Claudia Lang, Tanmaya Mahapatra, Ingrid Gatz, Klaus A Kuhn, Fabian Prasser
JMIR Med Inform. 2020 Jul; 8(7): e15918.
DOI: http://dx.doi.org/10.2196%2F15918