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The Use of Consensus Scoring in Ligand-Based Virtual Screening

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Conformational analysis by intersection: CONAN
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ConsDock: A new program for the consensus analysis of protein–ligand interactions
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Statistical potentials and scoring functions applied to protein–ligand binding
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Consensus scoring for ligand/protein interactions
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Chemical Function Queries for 3D Database Search
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How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
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Reoptimization of MDL Keys for Use in Drug Discovery
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Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
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Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality
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Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble
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Using Ensembles to Classify Compounds for Drug Discovery
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Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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Identification of Common Functional Configurations Among Molecules
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Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
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Metric Validation and the Receptor-Relevant Subspace Concept
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Evaluation of a Novel Shape-Based Computational Filter for Lead Evolution: Application to Thrombin Inhibitors
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A Computational Ensemble Pharmacophore Model for Identifying Substrates of P-Glycoprotein
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Application of Predictive QSAR Models to Database Mining: Identification and Experimental Validation of Novel Anticonvulsant Compounds
inferredcites →https://doi.org/10.1021/jm030644sopenalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1023/a:1025361621494openalex-snapshot
In silico prediction of drug toxicity
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Evaluation and application of multiple scoring functions for a virtual screening experiment
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1126/science.1095833openalex-snapshot
Drug Delivery Systems: Entering the Mainstream
inferredcites →https://doi.org/10.1126/science.1096361openalex-snapshot
The Many Roles of Computation in Drug Discovery

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Virtual Screening
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Virtual Screening and Bioactivity Modeling for G Protein‐Coupled Receptors
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Ligand‐Based Virtual Screening
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The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening
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Enhancing the Effectiveness of Ligand‐Based Virtual Screening Using Data Fusion
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Consensus scoring for protein–ligand interactions
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Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
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Consensus Virtual Screening and Ex Vivo Evaluation of Novel JAK2/STAT1,3 Inhibitors
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Analysis of Data Fusion Methods in Virtual Screening: Theoretical Model
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Novel 2D Fingerprints for Ligand-Based Virtual Screening
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Classification and Virtual Screening of Androgen Receptor Antagonists
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Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
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SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening
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Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4Receptors
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Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo Design
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Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints
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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
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Fingerprint Directed Scaffold Hopping for Identification of CCR2 Antagonists
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How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space
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FUSING SIMILARITY RANKINGS IN LIGAND-BASED VIRTUAL SCREENING
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Additional file 1 of Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
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Additional file 2 of Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
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Additional file 3 of Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
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