Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
Sherbrooke, Canada
Joined August 2021
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Hybrid stacked bidirectional deep learning with attention based air pollution prediction for environmental sustainability #machinelearning #compchem doi.org/10.1038/s41598-026-6…
ConSolv: Solvent-Conditional Machine Learning Implicit Solvent Potential #machinelearning #compchem doi.org/10.1021/acs.jctc.6c0…
Generative Quantum Machine Learning Methods for Cancer Detection using Augmented Datasets #machinelearning #compchem arxiv.org/abs/2610.15110v1
A hybrid deep learning and ensemble approach for accurate prediction of hepatocellular carcinoma from sequence variants of hepatitis B virus (HBV) X gene #machinelearning #compchem doi.org/10.1038/s41598-026-7…
Leveraging the Synergy between Mechanistic Insight and Machine Learning for Predictive Structure–Performance Relationships in Organic Synthesis #machinelearning #compchem doi.org/10.1021/acs.accounts…
Introduction to Frontiers in materials discovery: innovations and challenges in machine learning and artificial intelligence #machinelearning #compchem doi.org/10.1039/d6ta90222g
From Algorithm Performance to Laboratory Deployment: A Critical Review of Artificial Intelligence in Clinical Chemistry #machinelearning #compchem doi.org/10.3390/molecules312…
Machine Learning in Amyloidogenic Polypeptide Research: From Sequence Prediction to Drug Discovery #machinelearning #compchem doi.org/10.1021/acsomega.6c0…
Artificial Intelligence Applications for Composite Materials: A Review #machinelearning #compchem doi.org/10.3390/polym1819243…
Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling #machinelearning #compchem doi.org/10.1002/advs.76808
Computational and Data‐Driven Strategies for Lignocellulosic Biomass Valorization: From Multiscale Modeling to Digitalized Biorefinery Design #machinelearning #compchem doi.org/10.1002/advs.78026
Beyond Conventional: A Review of Phytochemical‐Hydrogel Systems Enhanced by AI and 3D Printing for Chronic Wound Management #machinelearning #compchem doi.org/10.1002/advs.77770
Evolution of Aggregation-Induced Emission Materials in Cancer Diagnosis and Therapy: Toward Clinical Translation #machinelearning #compchem doi.org/10.1021/acs.accounts…
Increasing Data Accessibility in the Journal of Natural Products #machinelearning #compchem doi.org/10.1021/acs.jnatprod…
A Biobased and Biodegradable Phytic Acid-Chitosan Adsorbent for Recovery of Heavy Rare Earth Elements #machinelearning #compchem doi.org/10.1021/acsapm.6c033…
Interpretable Deep Learning of Molecule‐Solvent Interactions Using a Solvatochromic Subgroup Contribution Framework #machinelearning #compchem doi.org/10.1002/advs.77347
Artificial intelligence-coupled paper-based detection of H 2 O 2 : an experiment customized from lab-on-paper sensing to image analysis to machine learning #machinelearning #compchem doi.org/10.1021/acs.jchemed.…
HEA-GAN for high-fidelity low-light image enhancement and degradation-aware image augmentation using a hybrid deep learning and GAN framework #machinelearning #compchem nature.com/articles/s41598-0…
Predictive modeling of antenna performance using machine learning for IoT applications #machinelearning #compchem nature.com/articles/s41598-0…
Machine Learning-Guided Solvent Optimization Using MACCS Keys Fingerprints: Application to an Sc(OTf)3-Catalyzed Synthesis of N-Unsubstituted Ketimines #machinelearning #compchem dx.doi.org/10.1055/a-2968-56…