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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 27, 2025
Fluorine-induced perturbations in hydrogen bond networks: Insights from FT-IR, Raman, and AIMD simulationsWojciech Pietruś, Ewa Machalska, Rafał KurczabJournal of Chemical Information and Modeling|March 26, 2024
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical PropertiesArkadiusz Leniak, Wojciech Pietruś, Rafał KurczabJournal of Chemical Information and Modeling|September 17, 2025
From NMR to AI: Fusing 1H and 13C Representations for Enhanced QSPR ModelingArkadiusz Leniak, Wojciech Pietruś, Rafał KurczabJournal of Chemical Information and Modeling|July 16, 2026
NMR-AI: An Open Platform for NMR-Enhanced Molecular Representations and Physicochemical Property PredictionWojciech Pietruś, Arkadiusz Leniak, Rafał KurczabJournal of Chemical Information and Modeling|March 5, 2025
From NMR to AI: Do We Need 1H NMR Experimental Spectra to Obtain High-Quality logD Prediction Models?Arkadiusz Leniak, Wojciech Pietruś, Aleksandra Świderska, et al.Molecules (Basel, Switzerland)|February 15, 2022
Hydrogen Bonds with Fluorine in Ligand-Protein Complexes-the PDB Analysis and Energy CalculationsWojciech Pietruś, Rafał Kafel, Andrzej J Bojarski, et al.Biomolecules|November 27, 2021
Data-Driven Analysis of Fluorination of Ligands of Aminergic G Protein Coupled ReceptorsWojciech Pietruś, Rafał Kurczab, Dagmar Stumpfe, et al.Molecules (Basel, Switzerland)|January 21, 2023
Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor LigandsWojciech Pietruś, Rafał Kurczab, Dawid Warszycki, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 26, 2021
Influence of Fluorine Substitution on Nonbonding Interactions in Selected Para-Halogeno AnilinesWojciech Pietruś, Rafał Kurczab, Justyna Kalinowska-Tłuścik, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 15, 2021
How can fluorine directly and indirectly affect the hydrogen bonding in molecular systems? - A case study for monofluoroanilinesWojciech Pietruś, Rafał Kurczab, Rafał Kafel, et al.Pageof 3