Papers matching “molecular machine learning” 157
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Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning2023 Energy & Fuels article Chemical Engineering Advanced Combustion Engine Technologies Open access
Lorenz Fleitmann, Philipp Ackermann, Johannes Schilling, Johanna Kleinekorte, Jan G. Rittig, Florian vom Lehn, +6 more
25citations -
Machine Learning-Driven Surface-Enhanced Raman Spectroscopy (SERS) Profiling of Low Molecular Weight Serum from Cervical Cancer Patients2026 Analytical Letters article Materials Science Gold and Silver Nanoparticles Synthesis and Applications
Shama Sehar, Maria Ghafoor, Muhammad Zeeshan Majeed, Haq Nawaz, Nosheen Rashid, Hafiza Elbadie Ahmed, +8 more
0citations -
Discovery of liquid crystalline polymers with high thermal conductivity using machine learning2025 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access
Hayato Maeda, Stephen Wu, Rika Marui, Erina Yoshida, Kan Hatakeyama‐Sato, Yuta Nabae, +13 more
16citations -
Molecular and morphological findings in a sample of oral surgery patients: What can we learn for multivariate concepts for age estimation?2021 Journal of Forensic Sciences article Arts and Humanities Forensic Anthropology and Bioarchaeology Studies Open access
Tatjana Siahaan, Alexandra Reckert, Simon Bodo Eickhoff, Barbara Elisabeth Koop, Tanju Gündüz, Petra Böhme, +4 more
5citations -
Interpretation of the DOME Recommendations for Machine Learning in Proteomics and Metabolomics2022 Journal of Proteome Research article Chemistry Advanced Proteomics Techniques and Applications Open access
Magnus Palmblad, Sebastian Böcker, Sven Degroeve, Oliver Kohlbacher, Lukas Käll, William Stafford Noble, +1 more
16citations -
Prediction of the Extent of Blood–Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model2025 Pharmaceutical Research article Computer Science Computational Drug Discovery Methods Open access
Berfin Gülave, Helle W. van den Maagdenberg, Luke van Boven, Gerard J. P. van Westen, Elizabeth C. M. de Lange, J. G. Coen van Hasselt
7citations -
Machine learning predicts the impact of antibiotic properties on the composition and functioning of bacterial community in aquatic habitats2022 The Science of The Total Environment article Environmental Science Pharmaceutical and Antibiotic Environmental Impacts Open access
Jian Kang, Zhenyan Zhang, Yiling Chen, Zhigao Zhou, Jinfeng Zhang, Nuohan Xu, +4 more
29citations -
Integrating Functional Genomic Descriptors into Explainable Machine-Learning Models for Cross-Aquatic Species Prediction of Metal-Containing Nanomaterials Ecotoxicity2026 Environmental Science & Technology Letters article Environmental Science Environmental Toxicology and Ecotoxicology
Yunchi Zhou, Ying Wang, Willie J.G.M. Peijnenburg, Martina G. Vijver, Kmy Leung, Surendra Balraadjsing, +3 more
0citations -
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alzbeta Tuerkova, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, +4 more
24citations -
Development of a machine‐learning model to identify the impacts of pesticides characteristics on soil microbial communities from high‐throughput sequencing data2022 Environmental Microbiology article Environmental Science Pesticide and Herbicide Environmental Studies Open access
Mingjing Ke, Nuohan Xu, Zhenyan Zhang, Danyan Qiu, Jian Kang, Tao Lu, +5 more
25citations -
Identifying Physical Structures in Our Galaxy with Gaussian Mixture Models: An Unsupervised Machine Learning Technique2023 The Astrophysical Journal article Physics and Astronomy Astrophysics and Star Formation Studies Open access
M. Tiwari, Rens Kievit, S. Kabanovic, Lars Bonne, Fabrizio Falasca, C. Guevara, +11 more
3citations -
Predicting genotoxicity of viral vectors for stem cell gene therapy using gene expression-based machine learning2021 Molecular Therapy article Biochemistry, Genetics and Molecular Biology Virus-based gene therapy research Open access cited by 1 patent
Adrian Schwarzer, Steven Roger Talbot, Anton Selich, Michael Alexander Morgan, Juliane Wilhelmine Schott, Oliver Dittrich‐Breiholz, +11 more
51citations -
Early Prediction of COVID-19 Patient Survival by Targeted Plasma Multi-Omics and Machine Learning2022 Molecular & Cellular Proteomics article Medicine COVID-19 Clinical Research Studies Open access
Vincent R. Richard, Claudia Gaither, Robert Popp, Daria Chaplygina, Alexander G. Brzhozovskiy, Alexey S. Kononikhin, +4 more
48citations -
Prediction Power on Cardiovascular Disease of Neuroimmune Guidance Cues Expression by Peripheral Blood Monocytes Determined by Machine-Learning Methods2020 International Journal of Molecular Sciences article Immunology and Microbiology Atherosclerosis and Cardiovascular Diseases Open access
Huayu Zhang, Obbo W Bredewold, Dianne Vreeken, Jacques M.G.J. Duijs, Hetty C. de Boer, Adriaan O. Kraaijeveld, +7 more
7citations