Wojciech Pietrus

12 Smętna Str
Krakow, MA 31324, Poland

Last Updated: 09/26/2026

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Found 26 publications

NMR-AI: An Open Platform for NMR-Enhanced Molecular Representations and Physicochemical Property Prediction.

NMR-AI: An Open Platform for NMR-Enhanced Molecular Representations and Physicochemical Property Prediction.

Journal: Journal of chemical information and modeling

Published: July 16, 2026

Identification of pyrrolo[2,3-d]pyrimidine-based dual MERTK and FLT3 inhibitor: Hit-to-lead, machine learning, modeling, synthesis, and biological evaluation.

Identification of pyrrolo[2,3-d]pyrimidine-based dual MERTK and FLT3 inhibitor: Hit-to-lead, machine learning, modeling, synthesis, and biological evaluation.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences

Published: October 31, 2025

From NMR to AI: Fusing 1H and 13C Representations for Enhanced QSPR Modeling.

From NMR to AI: Fusing 1H and 13C Representations for Enhanced QSPR Modeling.

Journal: Journal of chemical information and modeling

Published: September 17, 2025

Fluorine-induced perturbations in hydrogen bond networks: Insights from FT-IR, Raman, and AIMD simulations.

Fluorine-induced perturbations in hydrogen bond networks: Insights from FT-IR, Raman, and AIMD simulations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: July 26, 2025

From NMR to AI: Do We Need 1H NMR Experimental Spectra to Obtain High-Quality logD Prediction Models?

From NMR to AI: Do We Need 1H NMR Experimental Spectra to Obtain High-Quality logD Prediction Models?

Journal: Journal of chemical information and modeling

Published: March 05, 2025

Histamine H3 receptor blockade alleviates neuropathic pain through the regulation of glial cells activation.

Histamine H3 receptor blockade alleviates neuropathic pain through the regulation of glial cells activation.

Journal: Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie

Published: November 18, 2024

Unlocking the potential of higher-molecular-weight 5-HT7R ligands: Synthesis, affinity, and ADMET examination.

Unlocking the potential of higher-molecular-weight 5-HT7R ligands: Synthesis, affinity, and ADMET examination.

Journal: Bioorganic chemistry

Published: May 20, 2024

5-HT6 receptor neutral antagonists protect astrocytes: A lesson from 2-phenylpyrrole derivatives.

5-HT6 receptor neutral antagonists protect astrocytes: A lesson from 2-phenylpyrrole derivatives.

Journal: European journal of medicinal chemistry

Published: April 26, 2024

From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties.

From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties.

Journal: Journal of chemical information and modeling

Published: March 26, 2024

Superiority of the Triple-Acting 5-HT6R/5-HT3R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT6R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.

Superiority of the Triple-Acting 5-HT6R/5-HT3R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT6R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.

Journal: Journal of medicinal chemistry

Published: October 05, 2023

Preclinical characterization of CPL304110 as a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3 for gastric, bladder, and squamous cell lung cancer.

Preclinical characterization of CPL304110 as a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3 for gastric, bladder, and squamous cell lung cancer.

Journal: Frontiers in oncology

Published: September 13, 2023

Dual Piperidine-Based Histamine H3 and Sigma-1 Receptor Ligands in the Treatment of Nociceptive and Neuropathic Pain.

Dual Piperidine-Based Histamine H3 and Sigma-1 Receptor Ligands in the Treatment of Nociceptive and Neuropathic Pain.

Journal: Journal of medicinal chemistry

Published: July 07, 2023

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Last Updated: 09/26/2026