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Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results

https://doi.org/10.1021/ci034234o
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What this work says

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

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A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
inferredcites →https://doi.org/10.1016/s1093-3263(01)00146-2openalex-snapshot
dbtop: Topomer similarity searching of conventional structure databases
inferredcites →https://doi.org/10.1021/ci025591mopenalex-snapshot
Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database
inferredcites →https://doi.org/10.1021/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/j100011a016openalex-snapshot
A Gaussian Description of Molecular Shape
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Synthesis and Structure−Affinity Relationships of NovelN-(1-Ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with Potent Serotonin 5-HT3and Dopamine D2Receptor Antagonistic Activity
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Design, Synthesis, and Pharmacological Profile of Novel Fused Pyrazolo[4,3- d ]pyridine and Pyrazolo[3,4- b ][1,8]naphthyridine Isosteres: A New Class of Potent and Selective Acetylcholinesterase Inhibitors
inferredcites →https://doi.org/10.1021/jm020895lopenalex-snapshot
Structure−Activity Relationships of Dimethindene Derivatives as New M2-Selective Muscarinic Receptor Antagonists
inferredcites →https://doi.org/10.1021/jm020955nopenalex-snapshot
Hydantoin-Substituted 4,6-Dichloroindole-2-carboxylic Acids as Ligands with High Affinity for the Glycine Binding Site of the NMDA Receptor
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N6-Cyclopentyl-2-(3-phenylaminocarbonyltriazene-1-yl)adenosine (TCPA), a Very Selective Agonist with High Affinity for the Human Adenosine A1 Receptor
inferredcites →https://doi.org/10.1021/jm034065zopenalex-snapshot
A Highly Selective, Non-Hydantoin, Non-Carboxylic Acid Inhibitor of Aldose Reductase with Potent Oral Activity in Diabetic Rat Models: 6-(5-Chloro-3-methylbenzofuran- 2-sulfonyl)-2-H-pyridazin-3-one
inferredcites →https://doi.org/10.1021/jp953707uopenalex-snapshot
A Gaussian Description of Molecular Shape
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Introduction to Probability and Statistics
inferredcites →https://doi.org/10.1093/comjnl/45.6.631openalex-snapshot
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
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The effect multiple query representations on information retrieval system performance

What points at this work

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

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Structure‐Based Design of BACE Inhibitors: Technical and Practical Aspects of Preparation, 3‐Dimensional Structure, and Computational Analysis
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Similarity methods in chemoinformatics
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Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200610084openalex-snapshot
Enhancing the Effectiveness of Ligand‐Based Virtual Screening Using Data Fusion
inferred← citeshttps://doi.org/10.1007/978-3-031-71452-8_6openalex-snapshot
Sequential Bayesian Updating
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Compound Selection Using Measures of Similarity and Dissimilarity
inferred← citeshttps://doi.org/10.1021/ci049615wopenalex-snapshot
Analysis of Data Fusion Methods in Virtual Screening: Theoretical Model
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Application of Machine Learning To Improve the Results of High-Throughput Docking Against the HIV-1 Protease
inferred← citeshttps://doi.org/10.1021/ci050296yopenalex-snapshot
The Use of Consensus Scoring in Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci2004835openalex-snapshot
Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
inferred← citeshttps://doi.org/10.1021/ci3002638openalex-snapshot
Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations
inferred← citeshttps://doi.org/10.1021/ci300547gopenalex-snapshot
Combination of Similarity Rankings Using Data Fusion
inferred← citeshttps://doi.org/10.1021/jm0493515openalex-snapshot
Hit-Directed Nearest-Neighbor Searching
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707532openalex-snapshot
Ligand discovery and virtual screening using the program LIDAEUS
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Probabilistic Approaches in Activity Prediction
inferred← citeshttps://doi.org/10.1147/rd.521.0057openalex-snapshot
Ligand discovery on massively parallel systems
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Bayesian updating and sequential testing: overcoming inferential limitations of screening tests
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Protein-Protein Interaction Inhibition (2P2I): Fewer and Fewer Undruggable Targets
inferred← citeshttps://doi.org/10.2174/1389557520666200730161549openalex-snapshot
Virtual Screening of Natural Products Database
inferred← citeshttps://doi.org/10.5936/csbj.201302002openalex-snapshot
FUSING SIMILARITY RANKINGS IN LIGAND-BASED VIRTUAL SCREENING
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