Latest Research in Machine Learning

16 research papers · 2026 median publication year

Top Research Topics in Machine Learning

Highest-Cited Papers

  1. Bridging Nature, Data, and Artificial Intelligence: An Interdisciplinary Approach for Natural Products Discovery
  2. What survives? Semantic eligibility, distribution shift and metric interpretation in external validation of ADMET predictors
  3. Chromatograms: A Modular Infrastructure for Scalable Chromatographic Data Handling in R
  4. From Therapeutic Drug Monitoring to Model-Informed Precision Dosing: A Review of Busulfan Dosing Optimization in Pediatric Hematopoietic Stem Cell Transplantation
  5. Multi-Endpoint Prediction of Bioactivity and ADMET Properties Coupled with Multi-Objective Optimization in Molecular Descriptor Space for Candidate ERα Antagonists
  6. Multi-hypergraph convolutional neural network for herb recommendation
  7. Phosphorus-31 Spin: Quantum Coherence Candidate Lacking Brain Evidence — E8 Intelligence Research
  8. Computer-aided drug design of quinoxaline based selective oestrogen receptor α modulators for breast cancer therapy: molecular docking, MD simulation, MM-PBSA and ADME/T analysis
  9. AI‐enabled engineering of hesperidin/ursodeoxycholic acid nanomedicine for synergistic treatment of drug‐induced liver injury
  10. FROM EMPIRICAL HERBAL MEDICINE TO PREDICTIVE THERAPEUTICS: THE ROLE OF AI AND MULTI-OMICS
  11. ToxLens: A Reproducible Graph-Learning Framework for Leakage-Aware, Uncertainty-Calibrated Molecular Toxicity Prediction
  12. Comparative Phytochemical and Antiviral Characteristics of Dipsacus asperoides and Phlomis umbrosa Against Influenza A Virus: LC-QTOF-MS Profiling and Exploratory Network Pharmacology
  13. Personalized Treatment Outcome Prediction from Scarce Data via Dual-Channel Knowledge Distillation and Adaptive Fusion
  14. Multitask learning in predictive toxicology: methods, benchmarks, and applications
  15. Metabodeconplus—An R Package for Automated Deconvolution and Alignment of 1D NMR Metabolomics Data
  16. Computational Prediction of the Severity of Adverse Drug Reactions Caused by Drug–Drug Interactions
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L3 Region - - 2026 Sep Q3

Machine Learning

16 papers

Top Topics (10)

Computational Drug Discovery Methods5
Machine Learning2
Data Analysis with R1
Hematopoietic Stem Cell Transplantation1
Traditional Chinese Medicine Studies1
Advanced NMR Techniques and Applications1
Estrogen and related hormone effects1
Drug-Induced Hepatotoxicity and Protection1
Phytochemistry and Biological Activities1
Metabolomics and Mass Spectrometry Studies1

Top Publications (16)

1.Bridging Nature, Data, and Artificial Intelligence: An Interdisciplinary Approach for Natural Products Discovery2.What survives? Semantic eligibility, distribution shift and metric interpretation in external validation of ADMET predictors3.Chromatograms: A Modular Infrastructure for Scalable Chromatographic Data Handling in R4.From Therapeutic Drug Monitoring to Model-Informed Precision Dosing: A Review of Busulfan Dosing Optimization in Pediatric Hematopoietic Stem Cell Transplantation5.Multi-Endpoint Prediction of Bioactivity and ADMET Properties Coupled with Multi-Objective Optimization in Molecular Descriptor Space for Candidate ERα Antagonists6.Multi-hypergraph convolutional neural network for herb recommendation7.Phosphorus-31 Spin: Quantum Coherence Candidate Lacking Brain Evidence — E8 Intelligence Research8.Computer-aided drug design of quinoxaline based selective oestrogen receptor α modulators for breast cancer therapy: molecular docking, MD simulation, MM-PBSA and ADME/T analysis9.AI‐enabled engineering of hesperidin/ursodeoxycholic acid nanomedicine for synergistic treatment of drug‐induced liver injury10.FROM EMPIRICAL HERBAL MEDICINE TO PREDICTIVE THERAPEUTICS: THE ROLE OF AI AND MULTI-OMICS11.ToxLens: A Reproducible Graph-Learning Framework for Leakage-Aware, Uncertainty-Calibrated Molecular Toxicity Prediction12.Comparative Phytochemical and Antiviral Characteristics of Dipsacus asperoides and Phlomis umbrosa Against Influenza A Virus: LC-QTOF-MS Profiling and Exploratory Network Pharmacology13.Personalized Treatment Outcome Prediction from Scarce Data via Dual-Channel Knowledge Distillation and Adaptive Fusion14.Multitask learning in predictive toxicology: methods, benchmarks, and applications15.Metabodeconplus—An R Package for Automated Deconvolution and Alignment of 1D NMR Metabolomics Data16.Computational Prediction of the Severity of Adverse Drug Reactions Caused by Drug–Drug Interactions
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