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Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening
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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/s1093-3263(00)00061-9openalex-snapshot
Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures
inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot
Why do we need so many chemical similarity search methods?
inferredcites →https://doi.org/10.1016/s1359-6446(03)02740-5openalex-snapshot
Chemical substructures in drug discovery
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/ci010025xopenalex-snapshot
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
inferredcites →https://doi.org/10.1021/ci0203848openalex-snapshot
Recursive Median Partitioning for Virtual Screening of Large Databases
inferredcites →https://doi.org/10.1021/ci025592eopenalex-snapshot
Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci950169+openalex-snapshot
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferredcites →https://doi.org/10.1021/ci970431+openalex-snapshot
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
inferredcites →https://doi.org/10.1021/jm00251a014openalex-snapshot
Substructural analysis. Novel approach to the problem of drug design
inferredcites →https://doi.org/10.1021/jm00251a015openalex-snapshot
Preparation and antitumor activity of 4'-thio analogs of 2,2'-anhydro-1-.beta.-D-arabinofuranosylcytosine
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.2174/1386207024607338openalex-snapshot
Grouping of Coefficients for the Calculation of Inter-Molecular Similarity and Dissimilarity using 2D Fragment Bit-Strings
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470131862.ch3openalex-snapshot
Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1002/chin.200506226openalex-snapshot
Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening.
inferred← citeshttps://doi.org/10.1002/minf.201100089openalex-snapshot
Tree and Hashing Data Structures to Speed up Chemical Searches: Analysis and Experiments
inferred← citeshttps://doi.org/10.1002/prot.22566openalex-snapshot
Comparison of structure‐based and threading‐based approaches to protein functional annotation
inferred← citeshttps://doi.org/10.1007/s11030-010-9269-yopenalex-snapshot
Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study
inferred← citeshttps://doi.org/10.1007/s11030-017-9729-8openalex-snapshot
Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01544openalex-snapshot
Exploration of a Large Virtual Chemical Space: Identification of Potent Inhibitors of Lactate Dehydrogenase-A against Pancreatic Cancer
inferred← citeshttps://doi.org/10.1021/ci100010vopenalex-snapshot
When is Chemical Similarity Significant? The Statistical Distribution of Chemical Similarity Scores and Its Extreme Values
inferred← citeshttps://doi.org/10.1021/ci100132gopenalex-snapshot
Hashing Algorithms and Data Structures for Rapid Searches of Fingerprint Vectors
inferred← citeshttps://doi.org/10.1021/ci200552ropenalex-snapshot
Speeding Up Chemical Searches Using the Inverted Index: The Convergence of Chemoinformatics and Text Search Methods
inferred← citeshttps://doi.org/10.1021/ci600358fopenalex-snapshot
Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time
inferred← citeshttps://doi.org/10.1021/ci600526aopenalex-snapshot
Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval
inferred← citeshttps://doi.org/10.1021/ci700200nopenalex-snapshot
Lossless Compression of Chemical Fingerprints Using Integer Entropy Codes Improves Storage and Retrieval
inferred← citeshttps://doi.org/10.1021/ci800076sopenalex-snapshot
Speeding Up Chemical Database Searches Using a Proximity Filter Based on the Logical Exclusive OR
inferred← citeshttps://doi.org/10.1021/ci900087yopenalex-snapshot
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback−Leibler Divergence Analysis
inferred← citeshttps://doi.org/10.1093/bib/bbp017openalex-snapshot
FINDSITE: a combined evolution/structure-based approach to protein function prediction
inferred← citeshttps://doi.org/10.1093/bioinformatics/btn187openalex-snapshot
BLASTing small molecules—statistics and extreme statistics of chemical similarity scores
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00930.xopenalex-snapshot
Reduction and Recombination of Fingerprints of Different Design Increase Compound Recall and the Structural Diversity of Hits
inferred← citeshttps://doi.org/10.1186/1758-2946-1-7openalex-snapshot
Large scale study of multiple-molecule queries
inferred← citeshttps://doi.org/10.1186/s13321-018-0311-xopenalex-snapshot
Statistical-based database fingerprint: chemical space dependent representation of compound databases
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1000405openalex-snapshot
FINDSITELHM: A Threading-Based Approach to Ligand Homology Modeling
inferred← citeshttps://doi.org/10.1371/journal.pone.0146666openalex-snapshot
Average Information Content Maximization—A New Approach for Fingerprint Hybridization and Reduction
inferred← citeshttps://doi.org/10.2174/1568026611212180005openalex-snapshot
Open Source Drug Discovery with Bioclipse
inferred← citeshttps://doi.org/10.3389/fmolb.2020.556481openalex-snapshot
Discovery of Potential Flavonoid Inhibitors Against COVID-19 3CL Proteinase Based on Virtual Screening Strategy
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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