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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2024

Classification-Based Detection and Quantification of Cross-Domain Data Bias in Materials Discovery

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

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42 direct citing works

Classification-Based Detection and Quantification of Cross-Domain Data Bias in Materials DiscoveryOriginalA Comprehensive Review on Bridging the Research Gap in AI-Driven Material Simulation for FRP Composites5The Problem of Representational Harm in Materials Dataset Construction0How Does Sampling Affect the AI Prediction Accuracy of Peptides’ Physicochemical Properties?0Energy-GNoME: A living database of selected materials for energy applications5Integrating artificial intelligence into small molecule development for precision cancer immunomodulation therapy28Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties1Accelerating the search for superconductors using machine learning4Out-of-distribution machine learning for materials discovery: Challenges and opportunities5Decoding Structure‐Property Relationships in Anion Exchange Membranes via a Chemically Informed Dual‐Channel Graph Attention Network0

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  1. A Comprehensive Review on Bridging the Research Gap in AI-Driven Material Simulation for FRP Composites

    Computer Modeling in Engineering & Sciences · 2025-01-01

    Alin Diniță, Cosmina-Mihaela Roșca, Maria Tănase, Adrian Stancu

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  2. The Problem of Representational Harm in Materials Dataset Construction

    Journal of Artificial Intelligence for Materials Science · 2025-01-01

    George Brown, Michael Taylor, Sarah Wilson, Olivia Harris

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  3. How Does Sampling Affect the AI Prediction Accuracy of Peptides’ Physicochemical Properties?

    bioRxiv (Cold Spring Harbor Laboratory) · 2025-02-02

    Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang

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  4. Energy-GNoME: A living database of selected materials for energy applications

    Energy and AI · 2025-09-17

    Paolo De Angelis, Giulio Barletta, Giovanni Trezza, Pietro Asinari, Eliodoro Chiavazzo

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  5. Integrating artificial intelligence into small molecule development for precision cancer immunomodulation therapy

    npj Drug Discovery. · 2025-10-01

    Henry Sutanto, Deasy Fetarayani

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  6. Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

    Advanced Intelligent Discovery · 2025-12-12

    Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang

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  7. Accelerating the search for superconductors using machine learning

    Computational Materials Science · 2025-12-31

    Suhas Adiga, Umesh Vasudeo Waghmare

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  8. Out-of-distribution machine learning for materials discovery: Challenges and opportunities

    Chemical Physics Reviews · 2026-03-01

    Miguel Tenorio, Md. Habibur Rahman, Arun Mannodi‐Kanakkithodi, James Chapman

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  9. Decoding Structure‐Property Relationships in Anion Exchange Membranes via a Chemically Informed Dual‐Channel Graph Attention Network

    Advanced Science · 2026-04-02

    Wanting Chen, Ye Hu, Zijun Xiao, Deming Xia, Bo Pang, Xuemei Wu, Gaohong He

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