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Publications (26)
- In Silico Prediction of Potential Bile Salt Export Pump Inhibitors Using Pharmacophore Models and Consensus Machine Learning Save
- Mol-JEPA: A multimodal Joint Embedding Predictive Architecture for Molecules Save
- The topology of molecular representations and its influence on machine learning performance Save
- Discovery and Biosynthesis of Celluxanthenes, Antibacterial Arylpolyene Alkaloids from Diverse Cellulose‐Degrading Anaerobic Bacteria Save
- Quantum Chemical Evaluation and QSAR Modeling of N-Nitrosamine Carcinogenicity Save
- In Silico Prediction of Oral Acute Rodent Toxicity Using Consensus Machine Learning Save
- eTRANSAFE: data science to empower translational safety assessment Save
- Development of Pharmacophore Models for the Important Off-Target 5-HT2B Receptor Save
- Development of Predictive Classification Models for Whole Cell Antimycobacterial Activity of Benzothiazinones Save
- Development of an in silico consensus model for the prediction of the phospholipigenic potential of small molecules Save