Péter Pogány - Publications, H-index & Citations

Péter Pogány

gsk

15H指数

52论文数

987被引数

收录论文 20

发表时间

Chemist-aligned retrosynthesis by ensembling diverse inductive bias models 通过集成多样化的归纳偏置模型实现化学家对齐的逆向合成

Nature

IF48.5

2026-09-21

PREAI

Krzysztof Maziarz; Guoqing Liu; Felix Pultar; John Gardner; Tobias Gensch; Jean Helie; Hubert Misztela; Austin Tripp; Junren Li; Aleksei Kornev; Piotr Gaiński; Holger Hoefling; Mike Fortunato; Rishi Gupta; Andrew Baxter; Darren L. Poole; Jennifer M. Elward; Adrian Krzyzanowski; Peter Pogány; Stephen D. Pickett; Ian D. Wall; Christopher M. Bishop; Philip G. Humphreys; James A. Lumley; Mario P. Wiesenfeldt; Marwin H. S. Segler

Automated Molecular Design in BRADSHAW; Applied to the Optimization of ERAP1 Inhibitors BRADSHAW中的自动化分子设计及其在ERAP1抑制剂优化中的应用

Journal of Medicinal Chemistry

IF6.8

2026-04-13

PREAI

Robert P. Law; Ian D. Wall; Richard Lonsdale; Ross P. Hryczanek; Daniel Barker; Tim N. Barrett; Rino A. Bit; John J. Coward; Matthew W. Gray; Darren V. S. Green; Callum J. Hall; Ashley P. Hancock; Carl Haslam; David J. Hirst; Heather F. Hryczanek; Jonathan P. Hutchinson; Semra Kitchen; David Marcus; Jared Marklew; Joseph Mason; Nicholas D. Measom; Margarete Neu; Simon Peace; Alex Phillipou; Stephen D. Pickett; Peter Pogány; James Rowedder; Paul Rowland; Paul Scott-Stevens; Gail A. L. Seal; Hester Sheehan; Efstratios Stratikos; Chloe Tayler; Jonathan A. Taylor; Christopher P. Tinworth; Giovanni Vitulli

Benchmarking 3D Structure-Based Molecule Generators 基于3D结构的分子生成器基准测试

Journal of Chemical Information and Modeling

IF5.3

2025-07-25

OAAI

Natasha Sanjrani; Damien E. Coupry; Peter Pogány; David S. Palmer; Stephen D. Pickett

bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-06-01

OAAI

Rianjongdee, Francesco; Palmer, David; Pickett, Stephen D.; Pogany, Peter; Tomkinson, Nicholas C. O.; Green, Darren V. S.

Profiling Sulfur(VI) Fluorides as Reactive Functionalities for Chemical Biology Tools and Expansion of the Ligandable Proteome

ACS CHEMICAL BIOLOGY

IF3.8

2023-01-17

OAAI

Gilbert, Katharine E.; Vuorinen, Aini; Aatkar, Arron; Pogany, Peter; Pettinger, Jonathan; Grant, Emma K.; Kirkpatrick, Joanna M.; Rittinger, Katrin; House, David; Burley, Glenn A.; Bush, Jacob T.

Experimental and computational insights into the mechanism of the copper(i)-catalysed sulfonylative Suzuki-Miyaura reaction 对铜 (i) 催化的磺化suzuki-miyaura反应机理的实验和计算见解

CHEMICAL SCIENCE

IF7.4

2023-01-01

OAAI

Hall, Callum G. J.; Sneddon, Helen F. F.; Pogany, Peter; Lindsay, David M.; Kerr, William J.

Application of deep metric learning to molecular graph similarity

JOURNAL OF CHEMINFORMATICS

IF5.7

2022-03-12

OAAI

Coupry, Damien E.; Pogany, Peter

Molecular sieving using metal-polymer coordination membranes in organic media

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2021-01-01

OAAI

Hardian, Rifan; Pogany, Peter; Lee, Young Moo; Szekely, Gyorgy

A direct-to-biology high-throughput chemistry approach to reactive fragment screening

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Thomas, Ross P.; Heap, Rachel E.; Zappacosta, Francesca; Grant, Emma K.; Pogany, Peter; Besley, Stephen; Fallon, David J.; Hann, Michael M.; House, David; Tomkinson, Nicholas C. O.; Bush, Jacob T.

A Turing Test for Molecular Generators

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2020-09-21

PREAI

Bush, Jacob T.; Pogany, Peter; Pickett, Stephen D.; Barker, Mike; Baxter, Andrew; Campos, Sebastien; Cooper, Anthony W. J.; Hirst, David; Inglis, Graham; Nadin, Alan; Patel, Vipulkumar K.; Poole, Darren; Pritchard, John; Washio, Yoshiaki; White, Gemma; Green, Darren V. S.

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries 基于循环神经网络迁移学习的聚焦库分子生成指南

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-07-13

PREAI

Amabilino, Silvia; Pogany, Peter; Pickett, Stephen D.; Green, Darren V. S.

A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification 取得了成功: 使用高通量筛选和命中鉴定发现了一系列具有新型结合模式的新ATAD2溴结构域抑制剂

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2019-08-09

PREAI

Bamborough, Paul; Chung, Chun-wa; Demont, Emmanuel H.; Bridges, Angela M.; Craggs, Peter D.; Dixon, David P.; Francis, Peter; Furze, Rebecca C.; Grandi, Paola; Jones, Emma J.; Karamshi, Bhumika; Locke, Kelly; Lucas, Simon C. C.; Michon, Anne-Marie; Mitchell, Darren J.; Pogany, Peter; Prinjha, Rab K.; Rau, Christina; Maria Roa, Ana; Roberts, Andrew D.; Sheppard, Robert J.; Watson, Robert J.

Profile of a Highly Selective Quaternized Pyrrolidine Betaine αvβ6 Integrin Inhibitor-(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S and 1R,3R)-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

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2019-08-05

OAAI

Barrett, Tim N.; Taylor, Jonathan A.; Barker, Daniel; Procopiou, Panayiotis A.; Thompson, James D. F.; Barrett, John; Le, Joelle; Lynn, Sean M.; Pogany, Peter; Pratley, Cassie; Pritchard, John M.; Roper, James A.; Rowedder, James E.; Slack, Robert J.; Vitulli, Giovanni; Macdonald, Simon J. F.; Kerr, William J.

The Design of Potent, Selective and Drug-Like RGD αvβ1 Small-Molecule Inhibitors Derived from non-RGD α4β1 Antagonists

CHEMMEDCHEM

IF3.4

2019-07-01

PREAI

Hatley, Richard J. D.; Barrett, Tim N.; Slack, Robert J.; Watson, Morag E.; Baillache, Daniel J.; Gruszka, Anna; Washio, Yoshiaki; Rowedder, James E.; Pogany, Peter; Pal, Sandeep; Macdonald, Simon J. F.

Bio-Inspired Robust Membranes Nanoengineered from Interpenetrating Polymer Networks of Polybenzimidazole/Polydopamine 由聚苯并咪唑/聚多巴胺的互穿聚合物网络制成的生物启发的坚固膜纳米工程

ACS NANO

IF16

2019-01-03

114

OAAI

Zhao, Dan; Kim, Jeong F.; Ignacz, Gergo; Pogany, Peter; Lee, Young Moo; Szekely, Gyorgy

De Novo Molecule Design by Translating from Reduced Graphs to SMILES

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2018-12-11

PREAI