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Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Consensus Models of Activity Landscapes
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(Q)SARs for Predicting Effects Relating to Reproductive Toxicity
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Molecular Similarity Measures
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Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
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Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets
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Activity landscape modeling of PPAR ligands with dual-activity difference maps
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Similarity-based virtual screening using 2D fingerprints
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Classification of scaffold-hopping approaches
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Advances in Food and Nutrition Research
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247th ACS National Meeting
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Single R-Group Polymorphisms (SRPs) and R-Cliffs: An Intuitive Framework for Analyzing and Visualizing Activity Cliffs in a Single Analog Series
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Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
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Compound bioactivities go public
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