Publications by authors named "Peter Pogany"

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Benchmarking 3D Structure-Based Molecule Generators.
Natasha Sanjrani, Damien E Coupry, Peter Pogány, David S Palmer, Stephen D Pickett

J Chem Inf Model· August 2025

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The critical role of PSAC channel in malaria parasite survival is driven home by phenotypic screening under relevant nutrient levels.
Irene Molina, Ryan Mansell, Rui Liang, Benigno Crespo, Margarita Puente

Cell Chem Biol· June 2025

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Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pretraining Data Augmentation.
Adrian Krzyzanowski, Stephen D Pickett, Peter Pogány

J Chem Inf Model· May 2025

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[Incidentally discovered ectopic tissue in the central neck region (level VI) of the neck - A case series, retrospective analysis and literature review].
Bernadett Lévay, Ilona Péter, Georgina Fröhlich, Pál Koltai, Gabriella Ivády

Magy Onkol· July 2024

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Utilizing the open-source programming language Python to create interactive Quality Assurance dashboards for diagnostic and screening performance in Cytology.
István Kovács, Tamás Székely, Péter Pogány, Szabolcs Takács, Mónika Erős

J Am Soc Cytopathol· June 2024

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bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups.
Francesco Rianjongdee, David Palmer, Stephen D Pickett, Peter Pogány, Nicholas C O Tomkinson

J Chem Inf Model· June 2024

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Experimental and computational insights into the mechanism of the copper(i)-catalysed sulfonylative Suzuki-Miyaura reaction.
Callum G J Hall, Helen F Sneddon, Peter Pogány, David M Lindsay, William J Kerr

Chem Sci· June 2023

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Profiling Sulfur(VI) Fluorides as Reactive Functionalities for Chemical Biology Tools and Expansion of the Ligandable Proteome.
Katharine E Gilbert, Aini Vuorinen, Arron Aatkar, Peter Pogány, Jonathan Pettinger

ACS Chem Biol· February 2023

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Application of deep metric learning to molecular graph similarity.
Damien E Coupry, Peter Pogány

J Cheminform· March 2022

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Molecule Ideation Using Matched Molecular Pairs.
Sandeep Pal, Peter Pogány, James Andrew Lumley

Methods Mol Biol· November 2021

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A direct-to-biology high-throughput chemistry approach to reactive fragment screening.
Ross P Thomas, Rachel E Heap, Francesca Zappacosta, Emma K Grant, Peter Pogány

Chem Sci· September 2021

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Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries.
Silvia Amabilino, Peter Pogány, Stephen D Pickett, Darren V S Green

J Chem Inf Model· December 2020

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A Turing Test for Molecular Generators.
Jacob T Bush, Peter Pogany, Stephen D Pickett, Mike Barker, Andrew Baxter

J Med Chem· October 2020

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Profile of a Highly Selective Quaternized Pyrrolidine Betaine αβ Integrin Inhibitor-(3)-3-(3-(3,5-Dimethyl-1-pyrazol-1-yl)phenyl)-4-((1 and 1,3)-1-methyl-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-ium-1-yl)butanoate Synthesized by Stereoselective Methylation.
Tim N Barrett, Jonathan A Taylor, Daniel Barker, Panayiotis A Procopiou, James D F Thompson, Peter Pogany

J Med Chem· August 2019

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A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
Paul Bamborough, Chun-Wa Chung, Emmanuel H Demont, Angela M Bridges, Peter D Craggs

J Med Chem· August 2019

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The Design of Potent, Selective and Drug-Like RGD αvβ1 Small-Molecule Inhibitors Derived from non-RGD α4β1 Antagonists.
Richard J D Hatley, Tim N Barrett, Robert J Slack, Morag E Watson, Daniel J Baillache

ChemMedChem· July 2019

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De Novo Molecule Design by Translating from Reduced Graphs to SMILES.
Peter Pogány, Navot Arad, Sam Genway, Stephen D Pickett

J Chem Inf Model· March 2019

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Bio-Inspired Robust Membranes Nanoengineered from Interpenetrating Polymer Networks of Polybenzimidazole/Polydopamine.
Dan Zhao, Jeong F Kim, Gergo Ignacz, Peter Pogany, Young Moo Lee

ACS Nano· January 2019

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[Combined presentation of autoimmune thyroiditis, bilateral papillary thyroid carcinoma, cervical thyrolipoma and diabetes mellitus].
Tamás Steiner, Ilona Péter, Péter Pogány, András Lantos, Zsuzsa Sándor

Orv Hetil· June 2018

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Experimental and theoretical investigation of the complexation of methacrylic acid and diisopropyl urea.
Peter Pogány, Mayamin Razali, Gyorgy Szekely

Spectrochim Acta A Mol Biomol Spectrosc· January 2017

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Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC).
Peter Pogány, Attila Kovács, Lucas Visscher, Rudy J M Konings

J Chem Phys· December 2016

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Theoretical study of bond distances and dissociation energies of actinide oxides AnO and AnO2.
Attila Kovács, Peter Pogány, Rudy J M Konings

Inorg Chem· April 2012

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Theoretical study of the structure and bonding in ThC2 and UC2.
Peter Pogány, Attila Kovács, Zoltán Varga, F Matthias Bickelhaupt, Rudy J M Konings

J Phys Chem A· January 2012

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Conformational properties of the disaccharide building units of hyaluronan.
Peter Pogány, Attila Kovács

Carbohydr Res· September 2009

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Myofibroblastic sarcoma of the base of tongue. Case report and review of the literature.
Zoltán Takácsi-Nagy, Györgyi Muraközy, Péter Pogány, János Fodor, Zsolt Orosz

Strahlenther Onkol· March 2009

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