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Speeding Up Chemical Searches Using the Inverted Index: The Convergence of Chemoinformatics and Text Search Methods
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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/minf.201100050openalex-snapshot
SketchSort: Fast All Pairs Similarity Search for Large Databases of Molecular Fingerprints
inferredcites →https://doi.org/10.1002/minf.201100089openalex-snapshot
Tree and Hashing Data Structures to Speed up Chemical Searches: Analysis and Experiments
inferredcites →https://doi.org/10.1007/s11030-006-9041-5openalex-snapshot
Cheminformatics analysis and learning in a data pipelining environment
inferredcites →https://doi.org/10.1017/cbo9780511809071openalex-snapshot
Introduction to Information Retrieval
inferredcites →https://doi.org/10.1021/c160011a008openalex-snapshot
Searching X-Ray Diffraction Powder Data with an Inverted Coordinate Index.
inferredcites →https://doi.org/10.1021/c160027a005openalex-snapshot
Organic Search and Display using a Connectivity Matrix Derived from Wiswesser Notation
inferredcites →https://doi.org/10.1021/c160028a002openalex-snapshot
An Integrated Chemical Structure Storage and Search System Operating at Du Pont
inferredcites →https://doi.org/10.1021/ci00049a008openalex-snapshot
Implementation of nearest-neighbor searching in an online chemical structure search system
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/ci100010vopenalex-snapshot
When is Chemical Similarity Significant? The Statistical Distribution of Chemical Similarity Scores and Its Extreme Values
inferredcites →https://doi.org/10.1021/ci100132gopenalex-snapshot
Hashing Algorithms and Data Structures for Rapid Searches of Fingerprint Vectors
inferredcites →https://doi.org/10.1021/ci100437eopenalex-snapshot
Using Inverted Indices for Accelerating LINGO Calculations
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/10.1021/ie900849nopenalex-snapshot
Study on the Reaction Mechanism and Kinetics of the Thermal Decomposition of Nitroethane
inferredcites →https://doi.org/10.1093/bioinformatics/bti683openalex-snapshot
ChemDB: a public database of small molecules and related chemoinformatics resources
inferredcites →https://doi.org/10.1109/icde.2008.4497434openalex-snapshot
Efficient Merging and Filtering Algorithms for Approximate String Searches
inferredcites →https://doi.org/10.1145/1132956.1132959openalex-snapshot
Inverted files for text search engines
inferredcites →https://doi.org/10.1145/1557670.1557677openalex-snapshot
Efficient top-k algorithms for fuzzy search in string collections
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/10.1186/1758-2946-1-7openalex-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/10.5860/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.
inferred← citeshttps://doi.org/10.1007/978-3-030-20721-2_5openalex-snapshot
FPGA-Based Hardware Accelerators for Selected Computational Problems
inferred← citeshttps://doi.org/10.1007/978-3-319-68474-1_14openalex-snapshot
Scalable Similarity Search for Molecular Descriptors
inferred← citeshttps://doi.org/10.1007/s11265-014-0915-yopenalex-snapshot
Multi-core DSP-based Vector Set Bits Counters/Comparators
inferred← citeshttps://doi.org/10.1016/j.nexres.2026.102362openalex-snapshot
A comprehensive review of chemoinformatics: From molecular representation to data-driven design
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00851openalex-snapshot
Information Retrieval and Text Mining Technologies for Chemistry
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/ci300535xopenalex-snapshot
Visualization and Virtual Screening of the Chemical Universe Database GDB-17
inferred← citeshttps://doi.org/10.1021/ci500150topenalex-snapshot
Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces
inferred← citeshttps://doi.org/10.1021/ci500713sopenalex-snapshot
ChemCom: A Software Program for Searching and Comparing Chemical Libraries
inferred← citeshttps://doi.org/10.1109/bibm47256.2019.8982950openalex-snapshot
Accelerating Large-Scale Molecular Similarity Search through Exploiting High Performance Computing
inferred← citeshttps://doi.org/10.1109/eurocon.2015.7313700openalex-snapshot
FPGA-based time and cost effective Hamming weight comparators for binary vectors
inferred← citeshttps://doi.org/10.1109/icaict.2015.7338515openalex-snapshot
On-chip hardware accelerators for data processing and combinatorial search
inferred← citeshttps://doi.org/10.1109/icde.2018.00013openalex-snapshot
GPH: Similarity Search in Hamming Space
inferred← citeshttps://doi.org/10.1109/tkde.2019.2899597openalex-snapshot
Generalizing the Pigeonhole Principle for Similarity Search in Hamming Space
inferred← citeshttps://doi.org/10.1155/2016/8972065openalex-snapshot
On-Chip Reconfigurable Hardware Accelerators for Popcount Computations
inferred← citeshttps://doi.org/10.1186/s13321-015-0110-6openalex-snapshot
Accurate and efficient target prediction using a potency-sensitive influence-relevance voter
inferred← citeshttps://doi.org/10.14569/ijacsa.2019.0100505openalex-snapshot
Storage Consumption Reduction using Improved Inverted Indexing for Similarity Search on LINGO Profiles
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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