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Theoretical and Computational Chemistry

Working Paper

Carbohydrate Transformer: Predicting Regio- and Stereoselective Reactions Using Transfer Learning

Giorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, Jean-Louis Reymond

Version 1 posted 05 March 2020

818

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Unassisted Noise-Reduction of Chemical Reactions Data Sets

Alessandra Toniato, Philippe Schwaller, Antonio Cardinale, Joppe Geluykens, Teodoro Laino

Version 2 posted 02 February 2021

1,570

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Theoretical and Computational Chemistry

Working Paper

Predicting Retrosynthetic Pathways Using a Combined Linguistic Model and Hyper-Graph Exploration Strategy

Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, Vishnu H Nair, Rico Andreas Haeuselmann, Riccardo Pisoni, Costas Bekas, Anna Iuliano, Teodoro Laino

Version 1 posted 21 October 2019

1,000

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Unsupervised Attention-Guided Atom-Mapping

Philippe Schwaller, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, Teodoro Laino

Version 1 posted 14 May 2020

3,383

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8

Citations

Energy

Working Paper

Doping in Garnet-Type Electrolytes: Kinetic and Thermodynamic Effects from Molecular Dynamics Simulations

Matthieu Mottet, Aris Marcolongo, Ivano Tavernelli, Teodoro Laino

Version 1 posted 25 January 2019

941

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Theoretical and Computational Chemistry

Working Paper

Automated Extraction of Chemical Synthesis Actions from Experimental Procedures

Alain C. Vaucher, Federico Zipoli, Joppe Geluykens, Vishnu H Nair, Philippe Schwaller, Teodoro Laino

Version 2 posted 10 April 2020

1,771

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Catalysis

Working Paper

Integrating Genetic Algorithms and Language Models for Enhanced Enzyme Design

Yves Gaetan Nana Teukam, Federico Zipoli, Teodoro Laino, Emanuele Criscuolo, Francesca Grisoni, Matteo Manica

Version 1 posted 13 March 2024

180

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Analytical Chemistry

Working Paper

Leveraging Infrared Spectroscopy for Automated Structure Elucidation

Marvin Alberts, Teodoro Laino, Alain C. Vaucher

Version 1 posted 15 May 2023

1,590

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Standardizing chemical compounds with language models

Miruna T. Cretu, Alessandra Toniato, Amol Thakkar, Amin Debabeche, Teodoro Laino, Alain C. Vaucher

Version 2 posted 10 March 2023

900

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Predicting solvents with the help of Artificial Intelligence

Oliver Tobias Schilter, Carlo Baldassari, Teodoro Laino, Philippe Schwaller

Version 1 posted 11 August 2023

544

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Refine Search

23 results in Teodoro Laino in Authors: Teodoro Laino

Carbohydrate Transformer: Predicting Regio- and Stereoselective Reactions Using Transfer Learning

Unassisted Noise-Reduction of Chemical Reactions Data Sets

Predicting Retrosynthetic Pathways Using a Combined Linguistic Model and Hyper-Graph Exploration Strategy

Unsupervised Attention-Guided Atom-Mapping

Doping in Garnet-Type Electrolytes: Kinetic and Thermodynamic Effects from Molecular Dynamics Simulations

Automated Extraction of Chemical Synthesis Actions from Experimental Procedures

Integrating Genetic Algorithms and Language Models for Enhanced Enzyme Design

Leveraging Infrared Spectroscopy for Automated Structure Elucidation

Standardizing chemical compounds with language models

Predicting solvents with the help of Artificial Intelligence

23 results in Authors: Teodoro Laino