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365.240, VL Artificial Intelligence in Life Sciences, Sohvi Iiri Maria Luukkonen / Günter Klambauer, 2026S
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A library contains more than one million molecules, but only a small number can be assayed. Which workflow constitutes virtual screening?
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A generator produces syntactically valid molecules, but many generated molecules are duplicates and many also occur in the training set. Which diagnostic checks reveal these two problems?
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What defines an active-learning cycle for virtual screening?
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Which statement correctly distinguishes 2D graph diffusion from 3D molecular diffusion?
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Which statement best describes a pharmacophore?
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The atoms of a molecular graph are reordered without changing its connectivity. How should a graph neural network respond?
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Which statement about conversion between SMILES and molecular fingerprints is correct?
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Which statement best describes mode collapse in generative molecule models?
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Molecular graphs are often represented using three types of tensors. Which of the following correctly identifies these?
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How does an autoregressive model generate a SMILES string?
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