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Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active 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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“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
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Cascade Reactions in Quantitative Solid-State Syntheses
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Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures
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How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
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Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins
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Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
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Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
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Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cmdc.200700090openalex-snapshot
Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints
inferred← citeshttps://doi.org/10.1002/qsar.200610052openalex-snapshot
Neighborhood Behavior: Validation of Two‐Dimensional Molecular Similarity as a Predictor of Similar Biological Activities and Docking Scores
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Towards Unified Compound Screening Strategies: A Critical Evaluation of Error Sources in Experimental and Virtual High‐Throughput Screening
inferred← citeshttps://doi.org/10.1002/sam.10035openalex-snapshot
Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling
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Similarity-based virtual screening using 2D fingerprints
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Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges
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Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces
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Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
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Introduction of an Information-Theoretic Method to Predict Recovery Rates of Active Compounds for Bayesian in Silico Screening: Theory and Screening Trials
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inferred← citeshttps://doi.org/10.1021/ci900087yopenalex-snapshot
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback−Leibler Divergence Analysis
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Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening
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