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Found 2 papers, 2 papers with code
Assigning Confidence to Molecular Property Prediction
Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design.
Population-based de novo molecule generation, using grammatical evolution
Automatic design with machine learning and molecular simulations has shown a remarkable ability to generate new and promising drug candidates.
Chemical Physics Biomolecules
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