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Hashing Algorithms and Data Structures for Rapid Searches of Fingerprint Vectors

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What this work says

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

inferredcites →https://doi.org/10.1007/978-0-387-77244-8_15openalex-snapshot
Evaluation of performance
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An Introduction To Chemoinformatics
inferredcites →https://doi.org/10.1007/s11030-006-9041-5openalex-snapshot
Cheminformatics analysis and learning in a data pipelining environment
inferredcites →https://doi.org/10.1016/0016-0032(58)90688-4openalex-snapshot
An introduction to probability theory and its applications
inferredcites →https://doi.org/10.1021/ci030287uopenalex-snapshot
Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys
inferredcites →https://doi.org/10.1021/ci0400819openalex-snapshot
Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening
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/ci0498719openalex-snapshot
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
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/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferredcites →https://doi.org/10.1021/ci600358fopenalex-snapshot
Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time
inferredcites →https://doi.org/10.1021/ci600526aopenalex-snapshot
Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval
inferredcites →https://doi.org/10.1021/ci700200nopenalex-snapshot
Lossless Compression of Chemical Fingerprints Using Integer Entropy Codes Improves Storage and Retrieval
inferredcites →https://doi.org/10.1021/ci700353mopenalex-snapshot
Discovery of Power-Laws in Chemical Space
inferredcites →https://doi.org/10.1021/ci800076sopenalex-snapshot
Speeding Up Chemical Database Searches Using a Proximity Filter Based on the Logical Exclusive OR
inferredcites →https://doi.org/10.1021/ci900133jopenalex-snapshot
An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases
inferredcites →https://doi.org/10.1021/ci970437zopenalex-snapshot
On the Properties of Bit String-Based Measures of Chemical Similarity
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/10.1093/bioinformatics/bti683openalex-snapshot
ChemDB: a public database of small molecules and related chemoinformatics resources
inferredcites →https://doi.org/10.1093/bioinformatics/btm341openalex-snapshot
ChemDB update—full-text search and virtual chemical space
inferredcites →https://doi.org/10.1093/nar/gkh073openalex-snapshot
Database resources of the National Center for Biotechnology Information: update
inferredcites →https://doi.org/10.1093/nar/gkp456openalex-snapshot
PubChem: a public information system for analyzing bioactivities of small molecules
inferredcites →https://doi.org/10.1093/nar/gkp967openalex-snapshot
Database resources of the National Center for Biotechnology Information
inferredcites →https://doi.org/10.1145/359581.359599openalex-snapshot
The choice of reference points in best-match file searching
inferredcites →https://doi.org/10.1145/362003.362025openalex-snapshot
Some approaches to best-match file searching
inferredcites →https://doi.org/10.1145/96105.96111openalex-snapshot
New techniques for best-match retrieval
inferredcites →https://doi.org/10.1186/1758-2946-1-7openalex-snapshot
Large scale study of multiple-molecule queries
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
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
inferredcites →https://doi.org/10.2307/2314609openalex-snapshot
An Introduction to Probability Theory and Its Applications.
inferredcites →https://doi.org/10.5860/choice.41-5919openalex-snapshot
An introduction to chemoinformatics

What points at this work

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

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Cognitive Chemistry: The Marriage of Machine Learning and Chemistry to Accelerate Materials Discovery
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SketchSort: Fast All Pairs Similarity Search for Large Databases of Molecular Fingerprints
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/10.1007/978-3-319-04129-2_7openalex-snapshot
An Adaptive Reference Point Approach to Efficiently Search Large Chemical Databases
inferred← citeshttps://doi.org/10.1007/978-3-642-33122-0_16openalex-snapshot
Succinct Multibit Tree: Compact Representation of Multibit Trees by Using Succinct Data Structures in Chemical Fingerprint Searches
inferred← citeshttps://doi.org/10.1007/s10618-022-00850-3openalex-snapshot
EmbAssi: embedding assignment costs for similarity search in large graph databases
inferred← citeshttps://doi.org/10.1007/s41060-017-0064-zopenalex-snapshot
Efficient identification of Tanimoto nearest neighbors
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Chemoinformatics: A view of the field and current trends in method development
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Electro-optic and spectroscopic properties of push–pull-chromophores with non-aromatic π-bridges
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.0c00393openalex-snapshot
Benchmark on Indexing Algorithms for Accelerating Molecular Similarity Search
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00069openalex-snapshot
RISC: Rapid Inverted-Index Based Search of Chemical Fingerprints
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/ci200606topenalex-snapshot
SymDex: Increasing the Efficiency of Chemical Fingerprint Similarity Searches for Comparing Large Chemical Libraries by Using Query Set Indexing
inferred← citeshttps://doi.org/10.1021/ci300535xopenalex-snapshot
Visualization and Virtual Screening of the Chemical Universe Database GDB-17
inferred← citeshttps://doi.org/10.1021/ci4004464openalex-snapshot
Construction and Use of Fragment-Augmented Molecular Hasse Diagrams
inferred← citeshttps://doi.org/10.1021/ci500713sopenalex-snapshot
ChemCom: A Software Program for Searching and Comparing Chemical Libraries
inferred← citeshttps://doi.org/10.1039/c5cp02177dopenalex-snapshot
Smooth heuristic optimization on a complex chemical subspace
inferred← citeshttps://doi.org/10.1109/dsaa.2016.23openalex-snapshot
Efficient Identification of Tanimoto Nearest Neighbors
inferred← citeshttps://doi.org/10.1109/iccad51958.2021.9643528openalex-snapshot
Optimizing FPGA-based Accelerator Design for Large-Scale Molecular Similarity Search (Special Session Paper)
inferred← citeshttps://doi.org/10.1111/cbdd.12054openalex-snapshot
The Future of Virtual Compound Screening
inferred← citeshttps://doi.org/10.1145/2484838.2484842openalex-snapshot
HmSearch
inferred← citeshttps://doi.org/10.1145/2487575.2487637openalex-snapshot
Succinct interval-splitting tree for scalable similarity search of compound-protein pairs with property constraints
inferred← citeshttps://doi.org/10.1145/3639269openalex-snapshot
Starling: An I/O-Efficient Disk-Resident Graph Index Framework for High-Dimensional Vector Similarity Search on Data Segment
inferred← citeshttps://doi.org/10.1186/s13321-019-0398-8openalex-snapshot
The chemfp project
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Compression of Topological Fragment Spectra (TFS) for Accelerating Chemical Data Mining
inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot
Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance
inferred← citeshttps://doi.org/10.5936/csbj.201302009openalex-snapshot
METHODS FOR SIMILARITY-BASED VIRTUAL SCREENING
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