- Lewis Y. Geer, Stephen E. Stein, William Gary Mallard, Douglas J. Slotta. AIRI: Predicting Retention Indices and Their Uncertainties Using Artificial Intelligence. Journal of Chemical Information and Computer Sciences, 64(3):690-696, 2024.
- Anupom Roy, Mikko Karttunen. A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of Chemical Information and Computer Sciences, 64(3):983-1003, 2024.
- Jiashuo Zhang, Ruheng Wang, Leyi Wei. MucLiPred: Multi-Level Contrastive Learning for Predicting Nucleic Acid Binding Residues of Proteins. Journal of Chemical Information and Computer Sciences, 64(3):1050-1065, 2024.
- Marco Foscato, Giovanni Occhipinti, Sondre H. Eliasson, Vidar R. Jensen. Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion. Journal of Chemical Information and Computer Sciences, 64(2):412-424, 2024.
- Esther Heid, Kevin P. Greenman, Yunsie Chung, Shih-Cheng Li, David E. Graff, Florence H. Vermeire, Haoyang Wu, William H. Green Jr., Charles McGill. Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of Chemical Information and Computer Sciences, 64(1):9-17, January 2024.
- Andre Nicolle, Sili Deng, Matthias Ihme, Nursulu Kuzhagaliyeva, Emad Al Ibrahim, Aamir Farooq. Mixtures Recomposition by Neural Nets: A Multidisciplinary Overview. Journal of Chemical Information and Computer Sciences, 64(3):597-620, 2024.
- Ayse A. Bekar-Cesaretli, Omeir Khan, Thu Nguyen, Dima Kozakov, Diane Joseph-McCarthy, Sandor Vajda. Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2. Journal of Chemical Information and Computer Sciences, 64(3):960-973, 2024.
- Yunhao Mei, Yong Shen. Cation-π Interactions Greatly Influence Ion Transportability of the Light-Driven Sodium Pump KR2: A Molecular Dynamics Study. Journal of Chemical Information and Computer Sciences, 64(3):974-982, 2024.
- Hongshuo Huang, Rishikesh Magar, Amir Barati Farimani. Pretraining Strategies for Structure Agnostic Material Property Prediction. Journal of Chemical Information and Computer Sciences, 64(3):627-637, 2024.
- Issue Publication Information. Journal of Chemical Information and Computer Sciences, 64(1), January 2024.