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RESEARCH PAPER · Scientific Reports · 2022

Chemical property prediction under experimental biases

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Open in your workspace →Saved 2026-10-14 · complete coverage
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Chemical property prediction under experimental biasesOriginalHigh Performance Binding Affinity Prediction with a Transformer-Based Surrogate Model3Mathematical Optimization in Machine Learning for Computational Chemistry1Rationalizing Polysaccharide Extraction with Deep Eutectic Solvents: From Supramolecular Architecture to Emerging AI-Guided Solvent Design38Capric Acid-Based Therapeutic Deep Eutectic Systems: A Focused Review Within the Framework of Deep Eutectic Solvents3

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  1. High Performance Binding Affinity Prediction with a Transformer-Based Surrogate Model

    IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) · 2024-05-27

    Archit Kumar Vasan, Ozan Gökdemir, Alexander Brace, Arvind Ramanathan, Thomas Scott Brettin, Rick L. Stevens, Venkatram Vishwanath

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  2. Mathematical Optimization in Machine Learning for Computational Chemistry

    Computation · 2025-07-11

    Ana Zeković

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  3. Rationalizing Polysaccharide Extraction with Deep Eutectic Solvents: From Supramolecular Architecture to Emerging AI-Guided Solvent Design

    Polysaccharides · 2025-09-10

    Faisal Al‐Akayleh, Ahmed S.A. Ali Agha, Ali R. Olaimat, Nidal Adel Qinna

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  4. Capric Acid-Based Therapeutic Deep Eutectic Systems: A Focused Review Within the Framework of Deep Eutectic Solvents

    Pharmaceuticals · 2026-01-15

    Faisal Al‐Akayleh, Ahmed S.A. Ali Agha, Ali R. Olaimat, Giuseppe Biagini

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