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The top documents of knut-baumann
Distance Profiles (DiP): A translationally and rotationally invariant 3D structure descriptor capturing steric properties of molecules
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Molecular Informatics – From Models to Molecules and Systems
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Molecular Informatics – The First Year
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Exploring benchmark dataset bias in ligand based virtual screening
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Neue Mikrotubuli-Stabilisatoren: Jenseits von Paclitaxel und Docetaxel
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Chance Correlation in Variable Subset Regression: Influence of the Objective Function, the Selection Mechanism, and Ensemble Averaging
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QSAR & Combinatorial Science: Transition to the Future
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Combination of fingerprints and MCS-based (inSARa) networks for Structure-Activity-Relationship analysis
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