- Cesare Roncaglia, Riccardo Ferrando. Machine Learning Assisted Clustering of Nanoparticle Structures. Journal of Chemical Information and Computer Sciences, 63(2):459-473, January 2023.
- Saheb Dutta, Amalendu Chandra. A Multiple Proton Transfer Mechanism for the Charging Step of the Aminoacylation Reaction at the Active Site of Aspartyl tRNA Synthetase. Journal of Chemical Information and Computer Sciences, 63(6):1819-1832, March 2023.
- Darya Stepanenko, Stephanie Budhan, Carlos Simmerling. SpikeScape: A Tool for Analyzing Structural Diversity in Experimental Structures of the SARS-CoV-2 Spike Glycoprotein. Journal of Chemical Information and Computer Sciences, 63(4):1087-1092, February 2023.
- Stefano Costanzi, Charlotte K. Slavick, Brent O. Hutcheson, Gregory D. Koblentz, Richard T. Cupitt. Correction to "Lists of Chemical Warfare Agents and Precursors from International Nonproliferation Frameworks: Structural Annotation and Chemical Fingerprint Analysis". Journal of Chemical Information and Computer Sciences, 63(1):406, 2023.
- Omer Kaspi, Osnat Israelsohn-Azulay, Zidon Yigal, Hila Rosengarten, Matea Krmpotic, Sabrina Gouasmia, Iva Bogdanovic-Radovic, Pasi Jalkanen, Anna Liski, Kenichiro Mizohata, Jyrki Räisänen, Zsolt Kasztovszky, Ildikó Harsányi, Raghunath Acharya, Pradeep K. Pujari, Molnár Mihály, Mihaly Braun, Nahum Shabi, Olga Girshevitz, Hanoch Senderowitz. Toward Developing Techniques─Agnostic Machine Learning Classification Models for Forensically Relevant Glass Fragments. Journal of Chemical Information and Computer Sciences, 63(1):87-100, 2023.
- Jörg Heider, Jonas Kilian, Aleksandra Garifulina, Steffen Hering, Thierry Langer, Thomas Seidel. Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening. Journal of Chemical Information and Computer Sciences, 63(1):101-110, 2023.
- Brandon J. Bongers, Huub J. Sijben, Peter B. R. Hartog, Andrey Tarnovskiy, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen. Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors. Journal of Chemical Information and Computer Sciences, 63(6):1745-1755, March 2023.
- Andrew J. Hoover, Martin Spale, Brian Lahue, Danny A. Bitton. Matcher: An Open-Source Application for Translating Large Structure/Property Data Sets into Insights for Drug Design. Journal of Chemical Information and Computer Sciences, 63(7):1852-1857, April 2023.
- Jan-Oliver Felix Kapp-Joswig, Bettina G. Keller. CommonNNClustering─A Python Package for Generic Common-Nearest-Neighbor Clustering. Journal of Chemical Information and Computer Sciences, 63(4):1093-1098, February 2023.
- Sergio Alejandro Poveda Cuevas, Fernando Luís Barroso da Silva, Catherine Etchebest. NS1 from Two Zika Virus Strains Differently Interact with a Membrane: Insights to Understand Their Differential Virulence. Journal of Chemical Information and Computer Sciences, 63(4):1386-1400, February 2023.