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RESEARCH PAPER · Unknown journal · 2021

Reaction Classification and Yield Prediction using the Differential Reaction Fingerprint DRFP

Daniel Probst, Philippe Schwaller, Jean‐Louis Reymond

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9 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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42 direct citing works

Reaction Classification and Yield Prediction using the Differential Reaction Fingerprint DRFPOriginalMachine intelligence for chemical reaction space124Unified Deep Learning Model for Multitask Reaction Predictions with Explanation129Roadmap to Pharmaceutically Relevant Reactivity Models Leveraging High-Throughput Experimentation17Data-driven Reaction Template Fingerprints1Bayesian optimisation for additive screening and yieldimprovements in chemical reactions – beyond one-hot encodings2Bayesian optimisation for additive screening and yieldimprovements in chemical reactions – beyond one-hot encoding0Predicting solvents with the help of Artificial Intelligence3ORDerly: Datasets and benchmarks for chemical reaction data0Predicting Reactivity with Machine Learning1

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  1. Machine intelligence for chemical reaction space

    Wiley Interdisciplinary Reviews Computational Molecular Science · 2022-03-07

    Philippe Schwaller, Alain C. Vaucher, Rubén Laplaza, Charlotte Bunne, Andreas Krause, Clémence Corminbœuf, Teodoro Laino

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  2. Unified Deep Learning Model for Multitask Reaction Predictions with Explanation

    Journal of Chemical Information and Modeling · 2022-03-10

    Jieyu Lü, Yingkai Zhang

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  3. Roadmap to Pharmaceutically Relevant Reactivity Models Leveraging High-Throughput Experimentation

    ChemRxiv · 2022-09-19

    Jessica Xu, Dipannita Kalyani, Thomas J. Struble, Spencer D. Dreher, Shane W. Krska, Stephen L. Buchwald, Klavs F. Jensen

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  4. Data-driven Reaction Template Fingerprints

    ChemRxiv · 2022-11-22

    Anubhab Chakraborty, Amol Thakkar, Alain C. Vaucher, Teodoro Laino

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  5. Bayesian optimisation for additive screening and yieldimprovements in chemical reactions – beyond one-hot encodings

    ChemRxiv · 2022-12-06

    Bojana Ranković, Ryan‐Rhys Griffiths, Henry B. Moss, Philippe Schwaller

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  6. Bayesian optimisation for additive screening and yieldimprovements in chemical reactions – beyond one-hot encoding

    ChemRxiv · 2023-05-30

    Bojana Ranković, Ryan‐Rhys Griffiths, Henry B. Moss, Philippe Schwaller

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  7. Predicting solvents with the help of Artificial Intelligence

    ChemRxiv · 2023-08-11

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

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  8. ORDerly: Datasets and benchmarks for chemical reaction data

    ChemRxiv · 2023-08-30

    Daniel S. Wigh, Joe Arrowsmith, Alexander Pomberger, Kobi Felton, Alexei A. Lapkin

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  9. Predicting Reactivity with Machine Learning

    Unknown journal · 2025-06-23

    Lauriane Jacot‐Descombes, Kjell Jorner

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