Absorption, Distribution, Metabolism, And Excretion

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4 papers in the last four weeks, with none the four weeks before. 0.0% of all new papers.

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  1. SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion

    Sep 23, 2026Quang Minh Nguyen, Thuy Quynh Nguyen, Duc Minh Le +3Absorption, Distribution, Metabolism, And ExcretionToxicity

    National Economics University Hanoi, Vietnam · VNU University of Science Hanoi, Vietnam

  2. Analysis of Prompt Engineering for Drug Toxicity Prediction

    Sep 3, 2026Mia MacGregor, Aakash Welgamage Don, Mark BartlettAbsorption, Distribution, Metabolism, And ExcretionAutomatic Prompt Optimization

    School of Computing, Engineering & Technology, Robert Gordon University, Aberdeen, UK. · School of Pharmacy, Applied Sciences & Public Health, Robert Gordon University, Aberdeen, UK.

  3. MolLedger: An Additive Graph Neural Network with Chemically Grounded ADME Attributions

    Aug 31, 2026Christina X. JiAbsorption, Distribution, Metabolism, And ExcretionDrug Design

    Hamilton College

  4. ToxLens: A Reproducible Graph-Learning Framework for Leakage-Aware, Uncertainty-Calibrated Molecular Toxicity Prediction

    Aug 31, 2026Magnus H. Strømme, Alex G. C. de Sá, David B. AscherAbsorption, Distribution, Metabolism, And ExcretionToxicity

    The Australian Centre for Ecogenomics, School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Queensland, 4072, Australia · Computational Biology and Clinical Informatics, Baker Heart and Diabetes Institute, Melbourne, Victoria, 3004, Australia

  5. MEGA-CL: A Molecular Foundation Model for Generalizable ADMET Prediction through Graph External Attention and Contrastive Learning

    Jul 27, 2026Tinghui Jin, Kedu Jin, Ying Li +8Absorption, Distribution, Metabolism, And ExcretionDrug Discovery

    School of Science, School of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University, Nanjing, China · 2Sir Run Run Hospital, Nanjing Medical University, Nanjing, China · 3Jiangsu Key Laboratory of Carcinogenesis and Intervention, China Pharmaceutical University, Nanjing, China

  6. ChemHyperMag: Physics-informed magnetic hypergraph learning improves molecular ADMET prediction

    Jul 19, 2026Hexiao Ding, Hongzhao Chen, Jing Lan +12Absorption, Distribution, Metabolism, And ExcretionDrug Discovery

    Department of Health Technology and Informatics, Hong Kong Polytechnic University, Hong Kong SAR, China · University of Liverpool, Liverpool, United Kingdom · Shanghai Jiao Tong University, Shanghai, China +1

  7. Asymmetric Focal Loss Improves Graph Neural Network Prediction of Drug-Drug Interactions

    Jul 8, 2026Faranak Hatami, Mousa MoradiAbsorption, Distribution, Metabolism, And ExcretionDrug-Drug Interactions

    Department of Chemistry, University of Illinois Chicago, Chicago, IL 60607, USA · Harvard Ophthalmology AI Lab, Schepens Eye Research Institute of Massachusetts Eye and Ear, Harvard Medical School, Boston, MA, USA

  8. CoFEND: A Cross-Modal Fusion End-to-End Network for Cold-Start Drug-Drug Interaction Prediction

    Jul 3, 2026Di Wu, Hongyi Sun, Haichao Xu +3Drug-Drug InteractionsAbsorption, Distribution, Metabolism, And Excretion

  9. MolSafeEval: A Benchmark for Uncovering Safety Risks in AI-Generated Molecules

    Jul 1, 2026Tong Xu, Xinzhe Cao, Zhihui Zhu +2Molecular GenerationMolecular Design

    Zhejiang University · ZJU-Hangzhou Global Scientific and Technological Innovation Center · University of Oxford

  10. KG-TRACE: A Neuro-Symbolic Framework for Mechanistic Grounding in Antimicrobial Resistance Prediction

    Jun 24, 2026Naman Garg, Sarika Jain, Sourav Yadav +4Genome-Wide Association StudyClinical Prediction

    National Institute of Technology Kurukshetra, Kurukshetra, India · Indian Institute of Information Technology Manipur, Manipur, India · Purdue University, West Lafayette, IN, USA +1

  11. Where Black-box Drug-Target Interaction Prediction Models Look: Cross-Method Explainability

    Jun 12, 2026Ali Vefghi, Zahed Rahmati, Mohammad AkbariAbsorption, Distribution, Metabolism, And ExcretionExplainability

    Department of Mathematics and Computer Science, Amirkabir University of Technology, Tehran, Iran

  12. Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

    Jun 9, 2026Yifan Xue, Srimukh Prasad Veccham, Saee Paliwal +2Absorption, Distribution, Metabolism, And ExcretionDrug Discovery

    NVIDIA Santa Clara, CA 95051

  13. Pharmacogenomic Knowledge Graph Augmentation for Graph Neural Network-Based Drug-Drug Interaction Prediction

    Jun 5, 2026Juergen DietrichAbsorption, Distribution, Metabolism, And ExcretionPharmacokinetics

    AI Solutions Berlin

  14. What Molecular Structure Cannot Tell Us: A Taxonomy of Explainability Gaps in GNN-Based Drug Toxicity Prediction

    May 25, 2026Juergen DietrichAbsorption, Distribution, Metabolism, And ExcretionMolecules

  15. MolDeTox: Evaluating Language Model's Stepwise Fragment Editing for Molecular Detoxification

    May 12, 2026Jueon Park, Wonjune Jang, Jiwoo Lee +2ToxicityDetoxification

    Korea University · Myongji University · AIGEN Sciences

  16. Physical Simulators as Do-Operators: Causal Discovery under Latent Confounders for AI-for-Science

    May 8, 2026Tsuyoshi OkitaCausal Discovery MethodsLatent Confounders

    Kyushu Institute of Technology

  17. An explainable hypothesis-driven approach to Drug-Induced Liver Injury with HADES

    May 4, 2026Maciej Wisniewski, Bartosz Topolski, Pawel Dabrowski-Tumanski +2Absorption, Distribution, Metabolism, And ExcretionCholangiocarcinoma

    Ingenix.ai, Warsaw, Poland · Laboratory of Bioinformatics and Computational Genomics, Warsaw University of Technology, Warsaw, Poland · Laboratory of Functional and Structural Genomics, Centre of New Technologies, University of Warsaw, Warsaw, Poland