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Balancing the Influence of Molecular Complexity on Fingerprint Similarity Searching
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/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/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferredcites →https://doi.org/10.1021/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci970437zopenalex-snapshot
On the Properties of Bit String-Based Measures of Chemical Similarity
inferredcites →https://doi.org/10.1198/004017002317375064openalex-snapshot
A Modification of the Jaccard–Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings
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.ch15openalex-snapshot
MOLECULAR SIMILARITY ANALYSIS
inferred← citeshttps://doi.org/10.1002/9781118742785.ch5openalex-snapshot
STABILITY IN MOLECULAR FINGERPRINT COMPARISON
inferred← citeshttps://doi.org/10.1002/9781118742785.ch7openalex-snapshot
CHEMOMETRIC APPLICATIONS OF NAÏVE BAYESIAN MODELS IN DRUG DISCOVERY
inferred← citeshttps://doi.org/10.1002/9783527633326.ch11openalex-snapshot
Applied Virtual Screening: Strategies, Recommendations, and Caveats
inferred← citeshttps://doi.org/10.1002/chin.200818213openalex-snapshot
ChemInform Abstract: Balancing the Influence of Molecular Complexity on Fingerprint Similarity Searching.
inferred← citeshttps://doi.org/10.1002/cmdc.201000089openalex-snapshot
Rendering Conventional Molecular Fingerprints for Virtual Screening Independent of Molecular Complexity and Size Effects
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_5openalex-snapshot
Similarity Searching Using 2D Structural Fingerprints
inferred← citeshttps://doi.org/10.1007/s10822-016-9935-yopenalex-snapshot
Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure
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/acs.jcim.5b00375openalex-snapshot
Investigating Pharmacological Similarity by Charting Chemical Space
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch015openalex-snapshot
How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space
inferred← citeshttps://doi.org/10.1021/ci400106gopenalex-snapshot
Do Not Hesitate to Use Tversky—and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors
inferred← citeshttps://doi.org/10.1021/ci8002045openalex-snapshot
Bit Silencing in Fingerprints Enables the Derivation of Compound Class-Directed Similarity Metrics
inferred← citeshttps://doi.org/10.1021/ci900108dopenalex-snapshot
Development of a Compound Class-Directed Similarity Coefficient That Accounts for Molecular Complexity Effects in Fingerprint Searching
inferred← citeshttps://doi.org/10.1021/ci900159fopenalex-snapshot
Shannon Entropy-Based Fingerprint Similarity Search Strategy
inferred← citeshttps://doi.org/10.1021/ci900512gopenalex-snapshot
Design and Evaluation of Bonded Atom Pair Descriptors
inferred← citeshttps://doi.org/10.1039/9781782623731-00120openalex-snapshot
Chemical Similarity, Shape Matching and QSAR
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00664.xopenalex-snapshot
Random Reduction in Fingerprint Bit Density Improves Compound Recall in Search Calculations Using Complex Reference Molecules
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01059.xopenalex-snapshot
Potency‐Directed Similarity Searching Using Support Vector Machines
inferred← citeshttps://doi.org/10.1186/1752-153x-3-s1-p5openalex-snapshot
Complexity effects in fingerprint similarity searching
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-p25openalex-snapshot
The influence of hashed fingerprints density on the machine learning methods performance
inferred← citeshttps://doi.org/10.1186/s13321-017-0198-yopenalex-snapshot
Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures
inferred← citeshttps://doi.org/10.1517/17460441.2010.486830openalex-snapshot
Advances in 2D fingerprint similarity searching
inferred← citeshttps://doi.org/10.3389/fphar.2016.00266openalex-snapshot
MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites
inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot
Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance
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