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RESEARCH PAPER · Journal of Cheminformatics · 2023

Combatting over-specialization bias in growing chemical databases

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

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Combatting over-specialization bias in growing chemical databasesOriginalMolecule auto-correction to facilitate molecular design4Advancements in biotransformation pathway prediction: enhancements, datasets, and novel functionalities in enviPath26Similarity-Based Machine Learning for Small Data Sets: Predicting Biolubricant Base Oil Viscosities7Predicting enzyme-compound associations for enzyme-catalysed reactions0Advancing the Discovery of Emerging Contaminants: A Leap in Technology and Data1

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  1. Molecule auto-correction to facilitate molecular design

    Journal of Computer-Aided Molecular Design · 2024-02-16

    Alan Kerstjens, Hans L. De Winter

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  2. Advancements in biotransformation pathway prediction: enhancements, datasets, and novel functionalities in enviPath

    Journal of Cheminformatics · 2024-08-06

    Jasmin Hafner, Tim Lorsbach, Sebastian Schmidt, Liam Brydon, Katharina Dost, Kunyang Zhang, Kathrin Fenner, Jörg Simon Wicker

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  3. Similarity-Based Machine Learning for Small Data Sets: Predicting Biolubricant Base Oil Viscosities

    The Journal of Physical Chemistry B · 2024-11-23

    Jae Young Kim, Salman A. Khan, Dionisios G. Vlachos

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  4. Predicting enzyme-compound associations for enzyme-catalysed reactions

    Journal of Cheminformatics · 2026-04-22

    Liam Brydon, Gillian Dobbie, Katerina Taškova, Jörg Simon Wicker

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  5. Advancing the Discovery of Emerging Contaminants: A Leap in Technology and Data

    Environmental Science & Technology · 2026-05-26

    Wenhui Qiu, Pablo Gago-Ferrero, Juliane Hollender, Frédéric D.L. Leusch, Susan D. Richardson, Saer Samanipour, Huahong Shi, Zhanyun Wang

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