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    • Teodoro Laino

    19 results in Authors: Teodoro Laino

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Molecular Transformer-aided Biocatalysed Synthesis Planning

    , Authors: Daniel Probst, Matteo Manica, Yves Gaëtan Nana Teukam, Alessandro Castrogiovanni, Federico Paratore, Teodoro Laino
    831
    Downloads
    4
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Sequence-to-Sequence Transformer Model for Disconnection Aware Retrosynthesis

    , Authors: Andrea Byekwaso, Alain C. Vaucher, Philippe Schwaller, Alessandra Toniato, Teodoro Laino
    358
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Completion of Partial Reaction Equations

    , Authors: Alain C. Vaucher, Philippe Schwaller, Teodoro Laino
    517
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning

    , Authors: Alessandra Toniato, Jan Unsleber, Alain Vaucher, Thomas Weymuth, Daniel Probst, Teodoro Laino, Markus Reiher
    450
    Downloads
    1
    Citations
    Category: Organic Chemistry
    ,
    Working Paper
    , Title:

    Data-driven Reaction Template Fingerprints

    , Authors: Anubhab Chakraborty, Amol Thakkar, Alain C. Vaucher, Teodoro Laino
    279
    Downloads
    Category: Energy
    ,
    Working Paper
    , Title:

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

    , Authors: Matthieu Mottet, Aris Marcolongo, Ivano Tavernelli, Teodoro Laino
    878
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Unassisted Noise-Reduction of Chemical Reactions Data Sets

    , Authors: Alessandra Toniato, Philippe Schwaller, Antonio Cardinale, Joppe Geluykens, Teodoro Laino
    1,282
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Automated Extraction of Chemical Synthesis Actions from Experimental Procedures

    , Authors: Alain C. Vaucher, Federico Zipoli, Joppe Geluykens, Vishnu H Nair, Philippe Schwaller, Teodoro Laino
    1,671
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

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

    , Authors: Giorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, Jean-Louis Reymond
    750
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Unsupervised Attention-Guided Atom-Mapping

    , Authors: Philippe Schwaller, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, Teodoro Laino
    2,548
    Downloads
    8
    Citations