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6 results in Authors: Tagir Akhmetshin

Theoretical and Computational Chemistry

Working Paper

SynPlanner: an end-to-end tool for synthesis planning

Tagir Akhmetshin, Dmitry Zankov, Philippe Gantzer, Dmitry Babadeev, Anna Pinigina, Timur Madzhidov, Alexandre Varnek

Version 2 posted 06 August 2024

441

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Theoretical and Computational Chemistry

Working Paper

From High Dimensions to Human Comprehension: Exploring Dimensionality Reduction for Chemical Space Visualization

Alexey Orlov, Tagir Akhmetshin, Dragos Horvath, Gilles Marcou, Alexandre Varnek

Version 1 posted 16 August 2024

231

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Theoretical and Computational Chemistry

Working Paper

CoLiNN: A Tool for Fast Chemical Space Visualization of DNA-Encoded Libraries Without Enumeration

Regina Pikalyova, Tagir Akhmetshin, Dragos Horvath, Alexandre Varnek

Version 1 posted 10 July 2024

281

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Theoretical and Computational Chemistry

Working Paper

Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies

Timur Madzhidov, Arkadii I. Lin, Ramil Nugmanov, Natalia Dyubankova, Timur Gimadiev, Jörg Kurt Wegner, Assima Rakhimbekova, Tagir Akhmetshin, Zarina Ibragimova, Alexandre Varnek, Rail Suleymanov, Hugo Ceulemans, Jonas Verhoeven

Version 1 posted 30 September 2020

1,624

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Citations

Theoretical and Computational Chemistry

Working Paper

HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder

Tagir Akhmetshin, Arkadii Lin, Daniyar Mazitov, Evgenii Ziaikin, Timur Madzhidov, Alexandre Varnek

Version 1 posted 06 December 2021

539

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Citations

Theoretical and Computational Chemistry

Working Paper

Construction of order-independent molecular fragments space with vector quantised graph autoencoder

Tagir Akhmetshin, Arkadii Lin, Timur Madzhidov, Alexandre Varnek

Version 1 posted 18 April 2023

386

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6 results in Tagir Akhmetshin in Authors: Tagir Akhmetshin

SynPlanner: an end-to-end tool for synthesis planning

From High Dimensions to Human Comprehension: Exploring Dimensionality Reduction for Chemical Space Visualization

CoLiNN: A Tool for Fast Chemical Space Visualization of DNA-Encoded Libraries Without Enumeration

Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies

HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder

Construction of order-independent molecular fragments space with vector quantised graph autoencoder

6 results in Authors: Tagir Akhmetshin