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CLIP: Similarity Searching of 3D Databases Using Clique Detection

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What this work says

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

inferredcites →https://doi.org/10.1002/1521-3773(20010903)40:17<3144::aid-anie3144>3.0.co;2-fopenalex-snapshot
Unusual Formation of an Azaphospholene from 1,3,4,5-Tetramethylimidazol-2-ylidene and Di(isopropyl)aminophosphaalkyne
inferredcites →https://doi.org/10.1002/ps.2780330111openalex-snapshot
Development of an atom mapping procedure for similarity searching in databases of three‐dimensional chemical structures
inferredcites →https://doi.org/10.1007/bf00119865openalex-snapshot
FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
inferredcites →https://doi.org/10.1007/bf00125665openalex-snapshot
Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances
inferredcites →https://doi.org/10.1007/bf00126218openalex-snapshot
A fast and efficient method for 2D and 3D molecular shape description
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(97)00089-2openalex-snapshot
Clique-Detection Algorithms for Matching Three-Dimensional Molecular Structures
inferredcites →https://doi.org/10.1016/s1359-6446(01)02091-8openalex-snapshot
Virtual screening and fast automated docking methods
inferredcites →https://doi.org/10.1016/s1359-6446(02)02289-4openalex-snapshot
Genome annotation techniques: new approaches and challenges
inferredcites →https://doi.org/10.1021/ci00011a012openalex-snapshot
New method for rapid characterization of molecular shapes: applications in drug design
inferredcites →https://doi.org/10.1021/ci00056a002openalex-snapshot
Algorithms for the identification of three-dimensional maximal common substructures
inferredcites →https://doi.org/10.1021/ci00056a003openalex-snapshot
Expert system for machine-aided indexing
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/ci980185hopenalex-snapshot
Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets
inferredcites →https://doi.org/10.1021/jm0255062openalex-snapshot
A Computational Ensemble Pharmacophore Model for Identifying Substrates of P-Glycoprotein
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:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
inferredcites →https://doi.org/10.1023/a:1021242018286openalex-snapshot
A validation study on the practical use of automated de novo design

What points at this work

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

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Docking and Scoring in Drug Discovery
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Using Modular Decomposition Technique to Solve the Maximum Clique Problem
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Revisiting Self-Operating Mathematical Universe (SOMU) as a Theory for Artificial General Intelligence, AGI and G+ Consciousness
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Clustering and Cliques in Preferential Attachment Random Graphs with Edge Insertion
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Solving the Maximum Clique Problem with Symmetric Rank-One Non-negative Matrix Approximation
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Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00262-5openalex-snapshot
Virtual Screening
inferred← citeshttps://doi.org/10.1016/j.dam.2018.03.046openalex-snapshot
Homothetic polygons and beyond: Maximal cliques in intersection graphs
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Optimization algorithms and natural computing in drug discovery
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Clique-detection models in computational biochemistry and genomics
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LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors
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A Structural Analogue Approach to the Prediction of the Octanol−Water Partition Coefficient
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NovoFLAP: A Ligand-Based De Novo Design Approach for the Generation of Medicinally Relevant Ideas
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Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors
inferred← citeshttps://doi.org/10.1021/jm049654zopenalex-snapshot
A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes
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Molecular similarity: a key technique in molecular informatics
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A general-purpose organic gel computer that learns by itself
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Computational/in silico methods in drug target and lead prediction
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Quantum speedup in solving the maximal-clique problem
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Structural Graph Indexing for Mining Complex Networks
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Learning long-term dependencies using layered graph neural networks
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Solving Maximum Clique Problems with Microfluidic DNA Computer
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Finding Small and Large $k$-Clique Instances on a Quantum Computer
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SISA: Set-Centric Instruction Set Architecture for Graph Mining on Processing-in-Memory Systems
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Model-Agonistic Iterative Graph Diversification for Improving Learning to Solve Graph Optimization Problems
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Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity
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Studies on New Tractable Indexing Structures and Rapid Compilation Methods for Graph-Substructures
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Computational Techniques for Drug Repurposing: A Paradigm Shift in Drug Discovery
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Tree Decomposition-based Approach for Compiling Independent Sets
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DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores
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Graph-Based Similarity Concepts in Virtual Screening
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Maximal independent sets in bipartite graphs with at least one cycle
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