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    • Alain C. Vaucher

    9 results in Authors: Alain C. Vaucher

    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:

    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:

    Data augmentation strategies to improve reaction yield predictions and estimate uncertainty

    , Authors: Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond
    1,430
    Downloads
    4
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Mapping the Space of Chemical Reactions using Attention-Based Neural Networks

    , Authors: Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
    4,147
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions

    , Authors: Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H Nair, Anna Iuliano, Teodoro Laino
    580
    Downloads
    1
    Citations
    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:

    Prediction of Chemical Reaction Yields using Deep Learning

    , Authors: Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond
    2,303
    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: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Standardizing chemical compounds with language models

    , Authors: Miruna T. Cretu, Alessandra Toniato, Amol Thakkar, Amin Debabeche, Teodoro Laino, Alain C. Vaucher
    548
    Downloads