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Inverse Frequency Weighting of Fragments for Similarity-Based Virtual Screening

https://doi.org/10.1021/ci1001235
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What this work says

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

inferredcites →https://doi.org/10.1002/9783527618279openalex-snapshot
Handbook of Chemoinformatics
inferredcites →https://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferredcites →https://doi.org/10.1002/asi.4630270302openalex-snapshot
Relevance weighting of search terms
inferredcites →https://doi.org/10.1002/cmdc.200800290openalex-snapshot
Similarity‐Based Virtual Screening with a Bayesian Inference Network
inferredcites →https://doi.org/10.1002/qsar.19860050105openalex-snapshot
A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity
inferredcites →https://doi.org/10.1002/qsar.19890080207openalex-snapshot
Comparison of Fragment Weighting Schemes for Substructural Analysis
inferredcites →https://doi.org/10.1002/qsar.200810176openalex-snapshot
Beyond QSAR: Lead Hopping to Different Structures
inferredcites →https://doi.org/10.1002/sam.10037openalex-snapshot
Turbo similarity searching: Effect of fingerprint and dataset on virtual‐screening performance
inferredcites →https://doi.org/10.1007/1-4020-3467-9_5openalex-snapshot
The History of IDF and Its Influences on IR and Other Fields
inferredcites →https://doi.org/10.1007/978-1-4020-6291-9openalex-snapshot
An Introduction To Chemoinformatics
inferredcites →https://doi.org/10.1007/s10822-009-9285-0openalex-snapshot
Analysis and use of fragment-occurrence data in similarity-based virtual screening
inferredcites →https://doi.org/10.1016/0898-5529(88)90016-4openalex-snapshot
Similarity searching in the Organic reaction domain
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
inferredcites →https://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1016/s1093-3263(98)00014-xopenalex-snapshot
SLASH: a program for analysing the functional groups in molecules
inferredcites →https://doi.org/10.1016/s1574-1400(06)02008-1openalex-snapshot
Chapter 8 Machine Learning in Computational Chemistry
inferredcites →https://doi.org/10.1021/ci034207yopenalex-snapshot
Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
inferredcites →https://doi.org/10.1021/ci050348jopenalex-snapshot
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
inferredcites →https://doi.org/10.1021/ci60001a016openalex-snapshot
A Comparison of the Performance of Some Similarity and Dissimilarity Measures in the Automatic Classification of Chemical Structures
inferredcites →https://doi.org/10.1021/ci8000259openalex-snapshot
Quantifying the Relationships among Drug Classes
inferredcites →https://doi.org/10.1021/ci900108dopenalex-snapshot
Development of a Compound Class-Directed Similarity Coefficient That Accounts for Molecular Complexity Effects in Fingerprint Searching
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/jm0303195openalex-snapshot
Classification of Kinase Inhibitors Using a Bayesian Model
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferredcites →https://doi.org/10.1108/00220410410560582openalex-snapshot
Understanding inverse document frequency: on theoretical arguments for IDF
inferredcites →https://doi.org/10.1108/eb026526openalex-snapshot
A STATISTICAL INTERPRETATION OF TERM SPECIFICITY AND ITS APPLICATION IN RETRIEVAL
inferredcites →https://doi.org/10.1517/17460441.2.4.423openalex-snapshot
Chemical similarity searches: when is complexity justified?
inferredcites →https://doi.org/10.2174/138955706778742768openalex-snapshot
On Scaffolds and Hopping in Medicinal Chemistry
inferredcites →https://doi.org/10.2307/2985640openalex-snapshot
A Method of Cluster Analysis and Some Applications

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781118742785.ch5openalex-snapshot
STABILITY IN MOLECULAR FINGERPRINT COMPARISON
inferred← citeshttps://doi.org/10.1002/minf.201500004openalex-snapshot
Chemoinformatics at the University of Sheffield 2002–2014
inferred← citeshttps://doi.org/10.1002/widm.26openalex-snapshot
Similarity‐based data mining in files of two‐dimensional chemical structures using fingerprint measures of molecular resemblance
inferred← citeshttps://doi.org/10.1007/978-3-319-10226-9_1openalex-snapshot
Introduction to Molecular Similarity and Chemical Space
inferred← citeshttps://doi.org/10.1007/s41060-017-0064-zopenalex-snapshot
Efficient identification of Tanimoto nearest neighbors
inferred← citeshttps://doi.org/10.1016/b978-1-68108-198-4.50005-9openalex-snapshot
The Use of Weighted 2D Fingerprints in Similarity-Based Virtual Screening
inferred← citeshttps://doi.org/10.1016/j.chemolab.2018.03.007openalex-snapshot
A new data representation based on relative measurements and fingerprint patterns for the development of QSAR regression models
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00492openalex-snapshot
Advantages of Relative versus Absolute Data for the Development of Quantitative Structure–Activity Relationship Classification Models
inferred← citeshttps://doi.org/10.1021/ci200472sopenalex-snapshot
Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1442879openalex-snapshot
QSAR classification and regression models for β-secretase inhibitors using relative distance matrices
inferred← citeshttps://doi.org/10.1093/bib/bbaa194openalex-snapshot
Scopy: an integrated negative design python library for desirable HTS/VS database design
inferred← citeshttps://doi.org/10.4018/978-1-4666-4010-8.ch020openalex-snapshot
Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening
inferred← citeshttps://doi.org/10.4018/ijcce.2012070103openalex-snapshot
Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening
inferred← citeshttps://doi.org/10.5936/csbj.201302002openalex-snapshot
FUSING SIMILARITY RANKINGS IN LIGAND-BASED VIRTUAL SCREENING
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