
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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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…
AI-accelerated scalable synthesis of nanocrystals for cost-effective photovoltaics #machinelearning #compchem nature.com/articles/s41467-0…
GenGLem as a generative framework for capturing chemical cliffs in energetic materials #machinelearning #compchem nature.com/articles/s42004-0…
Multi‐Omics and Computational Pharmacology Approach With Experimental Validation Reveals the Antiproliferative Activity of Sophoricoside Against Pancreatic Cancer #machinelearning #compchem onlinelibrary.wiley.com/doi/…
CAML‐RNA: Commutative Algebra Machine Learning for RNA–Ligand Binding Affinity Prediction #machinelearning #compchem onlinelibrary.wiley.com/doi/…
Transfer‐Aided Deep Learning for Life Cycle Assessment Prediction of Precursor Molecules #machinelearning #compchem chemistry-europe.onlinelibra…
Function-preserving watermarking of AI-generated proteins #machinelearning #compchem nature.com/articles/s41586-0…
From Undruggable to Actionable: Redefining Druggability Through Emerging Therapeutic Modalities #machinelearning #compchem chemistry-europe.onlinelibra…
Design Strategies and Advanced Research Methodologies of Iron‐Group Transition Metal Electrocatalysts Toward Efficient Hydrogen Evolution in Water Splitting #machinelearning #compchem chemistry-europe.onlinelibra…