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Fast Similarity Search in Three-Dimensional Structure Databases

https://doi.org/10.1021/ci990081m
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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/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/qua.560170612openalex-snapshot
How similar is a molecule to another? An electron density measure of similarity between two molecular structures
inferredcites →https://doi.org/10.1007/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1016/0022-2860(93)80221-gopenalex-snapshot
Computational Chemical Graph Theory
inferredcites →https://doi.org/10.1016/0160-9327(85)90094-8openalex-snapshot
Communication, storage and retrieval of chemical information
inferredcites →https://doi.org/10.1016/0166-218x(88)90004-2openalex-snapshot
Determining structural similarity of chemicals using graph-theoretic indices
inferredcites →https://doi.org/10.1021/c160050a013openalex-snapshot
Strategic Considerations in the Design of a Screening System for Substructure Searches of Chemical Structure Files
inferredcites →https://doi.org/10.1021/ci00009a019openalex-snapshot
Molecular substructure similarity searching: efficient retrieval in two-dimensional structure databases
inferredcites →https://doi.org/10.1021/ci00010a009openalex-snapshot
Automatic identification of molecular similarity using reduced-graph representation of chemical structure
inferredcites →https://doi.org/10.1021/ci00017a016openalex-snapshot
Similarity searching on CAS Registry substances. 2. 2D structural similarity
inferredcites →https://doi.org/10.1021/ci00044a012openalex-snapshot
Rapid subgraph search using parallelism
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/ci00066a018openalex-snapshot
Substructure search systems. 1. Performance comparison of the MACCS, DARC, HTSS, CAS Registry MVSSS, and S4 substructure search systems
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/ci950061uopenalex-snapshot
GMA: A Generic Match Algorithm for Structural Homomorphism, Isomorphism, and Maximal Common Substructure Match and Its Applications
inferredcites →https://doi.org/10.1021/ci9500851openalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci960002wopenalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures: Flexible Field-Based Searching of Molecular Electrostatic Potentials
inferredcites →https://doi.org/10.1021/ci960466uopenalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion
inferredcites →https://doi.org/10.1021/ci970070yopenalex-snapshot
3DFS: A New 3D Flexible Searching System for Use in Drug Design
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/ci970438ropenalex-snapshot
Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/ci980335oopenalex-snapshot
Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors
inferredcites →https://doi.org/10.1021/ci990308dopenalex-snapshot
Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules
inferredcites →https://doi.org/10.1021/jm990159qopenalex-snapshot
Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching
inferredcites →https://doi.org/10.1037/0033-295x.84.4.327openalex-snapshot
Features of similarity.
inferredcites →https://doi.org/10.1093/bioinformatics/6.4.309openalex-snapshot
Comparing multiple RNA secondary structures using tree comparisons
inferredcites →https://doi.org/10.1093/oso/9780195119404.001.0001openalex-snapshot
Pattern Discovery in Biomolecular Data
inferredcites →https://doi.org/10.1109/ccv.1988.589995openalex-snapshot
Geometric Hashing: A General And Efficient Model-based Recognition Scheme
inferredcites →https://doi.org/10.1109/icpr.1990.119438openalex-snapshot
Object recognition using geometric hashing on the Connection Machine
inferredcites →https://doi.org/10.1109/icpr.2002.1044572openalex-snapshot
Proceedings 16th International Conference on Pattern Recognition
inferredcites →https://doi.org/10.1142/s0129054196000051openalex-snapshot
ON THE EDITING DISTANCE BETWEEN UNDIRECTED ACYCLIC GRAPHS
inferredcites →https://doi.org/10.1145/96105.96111openalex-snapshot
New techniques for best-match retrieval
inferredcites →https://doi.org/10.5860/choice.27-4552openalex-snapshot
Algorithmic graph theory

What points at this work

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

inferred← citeshttps://doi.org/10.1002/prot.20217openalex-snapshot
FlexX‐Scan: Fast, structure‐based virtual screening
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00247-9openalex-snapshot
Pharmacophore Modeling: 1 – Methods
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02559-2openalex-snapshot
Pharmacophore Modeling: 1 – Methods
inferred← citeshttps://doi.org/10.1016/j.is.2005.05.005openalex-snapshot
Discovering frequent geometric subgraphs
inferred← citeshttps://doi.org/10.1016/s0031-3203(01)00055-3openalex-snapshot
Finding approximate patterns in undirected acyclic graphs
inferred← citeshttps://doi.org/10.1021/ci010083iopenalex-snapshot
A Web-Based 3D-Database Pharmacophore Searching Tool for Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci300535xopenalex-snapshot
Visualization and Virtual Screening of the Chemical Universe Database GDB-17
inferred← citeshttps://doi.org/10.1093/molbev/msag031openalex-snapshot
Evolutionary remodeling of the FXR binding pocket drove functional divergence and ligand discrimination
inferred← citeshttps://doi.org/10.1109/advcomp.2008.34openalex-snapshot
Searching and Ranking Similar Clusters of Polyhedra in Crystal Structures
inferred← citeshttps://doi.org/10.1109/icdm.2002.1183911openalex-snapshot
Discovering frequent geometric subgraphs
inferred← citeshttps://doi.org/10.1109/ssdbm.2004.59openalex-snapshot
Retrieval of isomorphic substructures in crystallographic databases
inferred← citeshttps://doi.org/10.1109/ssdm.2004.1311217openalex-snapshot
Retrieval of isomorphic substructures in crystallographic databases
inferred← citeshttps://doi.org/10.1109/tkde.2002.1019211openalex-snapshot
Finding patterns in three-dimensional graphs: algorithms and applications to scientific data mining
inferred← citeshttps://doi.org/10.1109/tkde.2007.190729openalex-snapshot
Localized Co-Occurrence Model for Fast Approximate Search in 3D Structure Databases
inferred← citeshttps://doi.org/10.21236/ada438939openalex-snapshot
Discovering Frequent Geometric Subgraphs
inferred← citeshttps://doi.org/10.21236/ada439484openalex-snapshot
Discovering Frequent Geometric Subgraphs
inferred← citeshttps://doi.org/10.2174/1389450117666160112112854openalex-snapshot
Structure-Based Drug Discovery Accelerated by Many-Core Devices
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