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RESEARCH PAPER · Unknown journal · 2023

Machine Learning for the Optimization of Chemical Reaction Conditions

A. Filipa Almeida, Tiago Rodrigues

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6 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
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Machine Learning for the Optimization of Chemical Reaction ConditionsOriginalBenchmarking Strategies of Sustainable Process Chemistry Development: Human-Based, Machine Learning, and Quantum Mechanics9Top 20 influential AI-based technologies in chemistry50Accelerating the Development of Sustainable Catalytic Processes through Data Science7A Paradigm Shift: From Batch Processing to Flow Chemistry4Intelligent column chromatography prediction model based on automation and machine learning12Selective and Sustainable Oxidation of Allyl Alcohol in Water Using a TS-1 Catalyst in Continuous Flow: A Machine-Learning-Driven Approach3

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  1. Benchmarking Strategies of Sustainable Process Chemistry Development: Human-Based, Machine Learning, and Quantum Mechanics

    Organic Process Research & Development · 2024-06-07

    A. Filipa Almeida, Sofia Branco, Luísa C. R. Carvalho, André Raposo Moreira Dias, Emília P. T. Leitão, Rui M. S. Loureiro, Susana Dias Lucas, Ricardo F. Mendonça, Rudi Oliveira, Inês L. D. Rocha, João Sardinha, Saúl Silva, Luís M. S. Sobral, Nuno M. T. Lourenço, P. C. Valente

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  2. Top 20 influential AI-based technologies in chemistry

    Artificial Intelligence Chemistry · 2024-07-27

    Valentine P. Ananikov

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  3. Accelerating the Development of Sustainable Catalytic Processes through Data Science

    Organic Process Research & Development · 2025-01-02

    Jason M. Stevens, Jacob M. Ganley, Matthew J. Goldfogel, Ariel Furman, Steven R. Wisniewski

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  4. A Paradigm Shift: From Batch Processing to Flow Chemistry

    Small · 2025-05-02

    Kallum Hiten Mehta, Riko I Made, Ivan Paul Parkin, Gopinathan Sankar, Albertus Denny Handoko

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  5. Intelligent column chromatography prediction model based on automation and machine learning

    Chem · 2025-05-29

    Wenchao Wu, Hao Jun Xu, Yang Xu, Peijie Luo, Qingrui Zeng, Yuntian Chen, Yan Xu, Dongxiao Zhang, Fanyang Mo

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  6. Selective and Sustainable Oxidation of Allyl Alcohol in Water Using a TS-1 Catalyst in Continuous Flow: A Machine-Learning-Driven Approach

    ACS Sustainable Chemistry & Engineering · 2025-12-05

    Kallum Hiten Mehta, Riko I Made, Stefanos Agrotis, Ivan Paul Parkin, Gopinathan Sankar, Albertus Denny Handoko

    Read original paper ↗ ·
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