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Introduction of the Conditional Correlated Bernoulli Model of Similarity Value Distributions and its Application to the Prospective Prediction of Fingerprint Search Performance
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/cmdc.200600225openalex-snapshot
Comparison of 2D Fingerprint Methods for Multiple‐Template Similarity Searching on Compound Activity Classes of Increasing Structural Diversity
inferredcites →https://doi.org/10.1002/cmdc.200700090openalex-snapshot
Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints
inferredcites →https://doi.org/10.1016/s0031-3203(96)00142-2openalex-snapshot
The use of the area under the ROC curve in the evaluation of machine learning algorithms
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci100010vopenalex-snapshot
When is Chemical Similarity Significant? The Statistical Distribution of Chemical Similarity Scores and Its Extreme Values
inferredcites →https://doi.org/10.1021/ci600418uopenalex-snapshot
Introduction of an Information-Theoretic Method to Predict Recovery Rates of Active Compounds for Bayesian in Silico Screening: Theory and Screening Trials
inferredcites →https://doi.org/10.1021/ci7004498openalex-snapshot
Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
inferredcites →https://doi.org/10.1021/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferredcites →https://doi.org/10.1021/jm1013677openalex-snapshot
A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening
inferredcites →https://doi.org/10.1080/01621459.1965.10480783openalex-snapshot
Ratios of Normal Variables and Ratios of Sums of Uniform Variables
inferredcites →https://doi.org/10.1093/biomet/56.3.635openalex-snapshot
On the ratio of two correlated normal random variables
inferredcites →https://doi.org/10.1214/aoms/1177729550openalex-snapshot
One-Sided Confidence Contours for Probability Distribution Functions
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.201300021openalex-snapshot
Pharmacophore Alignment Search Tool (PhAST): Significance Assessment of Chemical Similarity
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.030openalex-snapshot
Chemoinformatics: A view of the field and current trends in method development
inferred← citeshttps://doi.org/10.1016/j.ddtec.2012.06.003openalex-snapshot
Molecular crime scene investigation – dusting for fingerprints
inferred← citeshttps://doi.org/10.1021/acsomega.8b00462openalex-snapshot
Prediction of Compound Profiling Matrices Using Machine Learning
inferred← citeshttps://doi.org/10.1021/ci4003206openalex-snapshot
Similarity Searching for Potent Compounds Using Feature Selection
inferred← citeshttps://doi.org/10.1101/110437openalex-snapshot
Consensus rank orderings of molecular fingerprints illustrate the ‘most genuine’ similarities between marketed drugs and small endogenous human metabolites, but highlight exogenous natural products as the most important ‘natural’ drug transporter substrates
inferred← citeshttps://doi.org/10.1109/tcbb.2015.2424435openalex-snapshot
Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets
inferred← citeshttps://doi.org/10.1111/cbdd.12054openalex-snapshot
The Future of Virtual Compound Screening
inferred← citeshttps://doi.org/10.1111/cbdd.12294openalex-snapshot
Modeling of Compound Profiling Experiments Using Support Vector Machines
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-o5openalex-snapshot
Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance
inferred← citeshttps://doi.org/10.12688/f1000research.22292.1openalex-snapshot
ccbmlib – a Python package for modeling Tanimoto similarity value distributions
inferred← citeshttps://doi.org/10.12688/f1000research.8357.1openalex-snapshot
Activity-relevant similarity values for fingerprints and implications for similarity searching
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.12.419openalex-snapshot
Machine learning and similarity-based virtual screening techniques
inferred← citeshttps://doi.org/10.4155/fmc.12.148openalex-snapshot
Significance Estimation For Sequence-Based Chemical Similarity Searching (PhAST) And Application To AuroraA Kinase Inhibitors
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