Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
Joined August 2021
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Evidence for the generic existence of two local structures in liquid water #machinelearning #compchem nature.com/articles/s41567-0…
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Genetically engineered outer membrane vesicles as next-generation bionanomaterials for therapeutic and diagnostic applications #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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A Pocketed Immunoblotting Disc for Field-Deployable Profiling of Multiantibody Spectrum #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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Generation of Molecules Near the Applicability Domain Boundaries of Property Prediction Models #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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An Ab Initio Study and Machine Learning Framework to Capture the Motional Effects in Solid-State NMR of Lithium-Ion Conductors #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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Computational modelling workflows for metal–organic polyhedra in The World Avatar #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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Machine Learning-Based Heat Capacity Prediction Model for the Design of High-Performance Natural Ester Insulating Oils #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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Facile electrochemical fabrication of GO@ZnO@MnO2 nanocomposite for catalytic ozonation of ciprofloxacin: experimental optimization and machine learning modeling #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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AI for battery-accelerated discovery of high-voltage electrolytes for advanced lithium batteries #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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Digital twin of biomacromolecular thermodynamics in cryo-EM data #machinelearning #compchem nature.com/articles/s42004-0…
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Cell Wall-Anchored MoOx@CuPc Nanoprobes Decode Organ-Level Metabolic Trade-Offs in Halophytes under Salt Stress #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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Exploring Acylcarnitine Metabolism Using Reverse Metabolomics #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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MAGC-DTI: modality-shared space and adaptive gated interactive cross-attention for drug–target interaction prediction #machinelearning #compchem nature.com/articles/s41598-0…
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Applied Design Strategies for MOFs in CO2 Capture: Balancing Stability, Selectivity, and Scalability #machinelearning #compchem chemistry-europe.onlinelibra…
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Scalable Boltzmann generators for equilibrium sampling of large-scale materials #machinelearning #compchem nature.com/articles/s41467-0…
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Wearable Electrochemical Biosensors for Sweat Uric Acid Detection: Next Generation Technology for Personalised Healthcare #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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Mobile-Integrated Biosensing Technologies: State-of-the-Art Progress and Future Directions #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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Invisible and Immortal: The Dead in Clinical-AI Data #machinelearning #compchem dx.doi.org/10.33774/coe-2026…
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Role of polymeric nanocomposite for tissue engineering applications #machinelearning #compchem pubs.rsc.org/en/Content/Arti…
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