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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Deep Contrastive Learning for High‐Throughput Prediction of Drug Resistance Mutations from Sequences #machinelearning #compchem doi.org/10.1002/advs.2025148…
Chemically Informed Artificial Intelligence Decoding of Full-Spectrum SERS Fingerprints for pH-Guided Intraoperative Assessment of Freshly Excised Melanoma Specimens #machinelearning #compchem doi.org/10.1021/acssensors.6…
6.1% Volumetric Negative Thermal Expansion Induced by the Reversible Reconstructive Phase Transition in Pb‐Free Bi1−xLnxCoO3 (Ln: Lanthanoid) #machinelearning #compchem doi.org/10.1002/advs.77022
Machine Learning with Iterative Error-Driven Refinement for Predicting PFAS-Coated Surface Wettability #machinelearning #compchem doi.org/10.1021/acsmaterials…
Systems Biology and Machine Learning Identify RAB2A as a Potential Target for Ocimum basilicum L. Volatile Intervention in Alzheimer's Disease via the Nose‐to‐Brain Pathway #machinelearning #compchem doi.org/10.1002/slct.74936
An AIoT-enabled framework for real-time predictive analytics and sustainable optimization in urban waste management systems #machinelearning #compchem doi.org/10.1038/s41598-026-6…
Machine Learning-Driven Prediction and Optimization of Thermoelectric Transport Properties in Ce-Doped CaMnO3 Ceramics #machinelearning #compchem doi.org/10.1021/acsomega.6c0…
A machine learning-based platform for predicting the potential energy of small molecules #machinelearning #compchem doi.org/10.1038/s41598-026-7…
Deep Learning and Domain Expertise for Fabricating High-Performance Biosensors #machinelearning #compchem doi.org/10.1021/acssensors.6…
Quantitative Structure–Activity Relationships for Predicting Organic Contaminant Reactivity in Electrochemical Advanced Oxidation Processes: Descriptors, Kinetics, and Machine Learning Frontiers #machinelearning #compchem doi.org/10.1002/poc.70115
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
