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Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Pharmacological Promiscuity: Dependence on Compound Properties and Target Specificity in a Set of Recent Roche Compounds
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Computational Analysis of Multi‐target Structure–Activity Relationships to Derive Preference Orders for Chemical Modifications toward Target Selectivity
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Scaffold Diversity Analysis of Compound Data Sets Using an Entropy‐Based Measure
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Molecular Similarity Measures
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Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets
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Molecular complexity and fragment-based drug discovery: ten years on
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Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
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Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure
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Dissecting Kinase Profiling Data to Predict Activity and Understand Cross-Reactivity of Kinase Inhibitors
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Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
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Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs
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Exploring Activity Cliffs in Medicinal Chemistry
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Targeted Kinase Selectivity from Kinase Profiling Data
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Grand Challenge Commentary: Accessing new chemical space for 'undruggable' targets
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The influence of drug-like concepts on decision-making in medicinal chemistry
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Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles
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Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections
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Modeling of activity landscapes for drug discovery
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Étude comparative de la distribution florale dans une portion des Alpes et du Jura
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Progress in the Analysis of Multiple Activity Profile of Screening Data Using Computational Approaches
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Computational Analysis of Kinase Inhibitors Identifies Promiscuity Cliffs across the Human Kinome
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KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space
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Identification and analysis of promiscuity cliffs formed by bioactive compounds and experimental implications
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Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds
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