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Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemoinformatics in Drug Discovery
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Alignment‐independent Descriptors from Molecular Interaction Fields
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Principal Properties for Aromatic Substituents. A Multivariate Approach for Design in QSAR
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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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SHED: Shannon Entropy Descriptors from Topological Feature Distributions
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Sharing Chemical Information without Sharing Chemical Structure
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Evaluating Virtual Screening Methods: Good and Bad Metrics for the “Early Recognition” Problem
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Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps
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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
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Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields
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Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set
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GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
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