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Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices
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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/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2896::aid-anie2896>3.0.co;2-3openalex-snapshot
Cascade Reactions in Quantitative Solid-State Syntheses
inferredcites →https://doi.org/10.1007/bf01590992openalex-snapshot
Constrained search of conformational hyperspace
inferredcites →https://doi.org/10.1007/bf02458843openalex-snapshot
Computational experience with an algorithm for tetrangle inequality bound smoothing
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
inferredcites →https://doi.org/10.1016/0263-7855(91)80003-iopenalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of smoothed bounded distances for incompletely specified query patterns
inferredcites →https://doi.org/10.1016/0263-7855(92)80068-oopenalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules
inferredcites →https://doi.org/10.1016/0898-5529(90)90119-sopenalex-snapshot
Selection of screens for three-dimensional substructure searching
inferredcites →https://doi.org/10.1016/s0167-8655(01)00022-8openalex-snapshot
Graph distances using graph union
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/s1093-3263(01)00146-2openalex-snapshot
dbtop: Topomer similarity searching of conventional structure databases
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/10.1021/ci00010a013openalex-snapshot
Similarity searching on CAS Registry substances. 1. Global molecular property and generic atom triangle geometric searching
inferredcites →https://doi.org/10.1021/ci00067a016openalex-snapshot
Conformational freedom in 3-D databases. 1. Techniques
inferredcites →https://doi.org/10.1021/ci00067a017openalex-snapshot
Automated conformational analysis and structure generation: algorithms for molecular perception
inferredcites →https://doi.org/10.1021/ci0100144openalex-snapshot
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches
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/ci010381fopenalex-snapshot
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
inferredcites →https://doi.org/10.1021/jm00156a005openalex-snapshot
The ensemble approach to distance geometry: application to the nicotinic pharmacophore
inferredcites →https://doi.org/10.1021/jm00156a006openalex-snapshot
Structure-taste correlation of L-aspartyl dipeptides using the SIMCA method
inferredcites →https://doi.org/10.1021/jm9806998openalex-snapshot
New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures
inferredcites →https://doi.org/10.1023/a:1013857218127openalex-snapshot
A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances
inferredcites →https://doi.org/10.1093/comjnl/45.6.631openalex-snapshot
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
inferredcites →https://doi.org/10.1109/34.809105openalex-snapshot
Matching hierarchical structures using association graphs
inferredcites →https://doi.org/10.5860/choice.27-0916openalex-snapshot
Distance geometry and molecular conformation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470892107.ch17openalex-snapshot
In SilicoMethods for the Analysis of Metabolites and Drug Molecules
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.200334224openalex-snapshot
Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices.
inferred← citeshttps://doi.org/10.1002/chin.200449217openalex-snapshot
Comparison of 2D Similarity and 3D Superposition. Application to Searching a Conformational Drug Database.
inferred← citeshttps://doi.org/10.1002/jcc.21586openalex-snapshot
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers
inferred← citeshttps://doi.org/10.1002/qsar.200510120openalex-snapshot
Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1007/s10822-005-9005-3openalex-snapshot
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands
inferred← citeshttps://doi.org/10.1007/s10822-006-9086-7openalex-snapshot
Incorporating partial matches within multiobjective pharmacophore identification
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00249-2openalex-snapshot
Compound Selection Using Measures of Similarity and Dissimilarity
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2011.03.030openalex-snapshot
An integrated knowledge-based approach for modelling biochemical reaction networks
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00186openalex-snapshot
Knowledge-Based Strategy to Improve Ligand Pose Prediction Accuracy for Lead Optimization
inferred← citeshttps://doi.org/10.1021/ci049920hopenalex-snapshot
Comparison of 2 D Similarity and 3 D Superposition. Application to Searching a Conformational Drug Database
inferred← citeshttps://doi.org/10.1021/ci0503863openalex-snapshot
Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance Matrices
inferred← citeshttps://doi.org/10.1021/ci200442hopenalex-snapshot
Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching
inferred← citeshttps://doi.org/10.1021/ci500006dopenalex-snapshot
3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity
inferred← citeshttps://doi.org/10.1021/ci6002762openalex-snapshot
Algorithm for Exhaustive and Nonredundant Organic Stereoisomer Generation
inferred← citeshttps://doi.org/10.1021/ci800391vopenalex-snapshot
SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches
inferred← citeshttps://doi.org/10.1021/jm049654zopenalex-snapshot
A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1109/advcomp.2008.34openalex-snapshot
Searching and Ranking Similar Clusters of Polyhedra in Crystal Structures
inferred← citeshttps://doi.org/10.1186/s13321-020-00462-3openalex-snapshot
Maximum common property: a new approach for molecular similarity
inferred← citeshttps://doi.org/10.1214/12-ba718openalex-snapshot
Bayesian Matching of Unlabeled Point Sets Using Procrustes and Configuration Models
inferred← citeshttps://doi.org/10.5808/gi.2009.7.4.212openalex-snapshot
WebChemDB: An Integrated Chemical Database Retrieval System
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