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Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
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Two‐Dimensional Structure and Substructure Searching
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A review of chemical structure retrieval systems
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MATCH: An atom‐typing toolset for molecular mechanics force fields
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Representation of chemical structures
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Problems of Substructure Search and Their Solution
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Substructure Searching in Files of Three-Dimensional Chemical Structures
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The Sheffield University Generic Chemical Structures Project — A Review of Progress and of Outstanding Problems
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Generic chemical structures in patents — an evaluation of the Sheffield University research work
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Processing of chemical structure databases using parallel computer hardware
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The Sheffield University generic chemical structures project
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Identifying 3D maximal common substructures using transputer networks
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Current research into chemical and textual information retrieval at the department of information studies, University of Sheffield
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Transputer implementations of chemical substructure searching algorithms
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Evolutionary Chemistry Approach toward Finding Novel Inhibitors of the Type 2 Diabetes Target Glucose-6-phosphate Translocase
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Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm
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Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity
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Computer storage and retrieval of generic chemical structures in patents. 9. An algorithm to find the extended set of smallest rings in structurally explicit generics
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Accurate Partitioning of Compounds Belonging to Diverse Activity Classes
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Parallel Algorithms for Graph Cycle Extraction Using the Cyclical Conjunction Operator
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Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality
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Clustering Files of Chemical Structures Using the Fuzzy k -Means Clustering Method
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Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods
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Identifying Biologically Active Compound Classes Using Phenotypic Screening Data and Sampling Statistics
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Lead Validation and SAR Development via Chemical Similarity Searching; Application to Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck
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Assessing the Predictive Power of Unsupervised Visualization Techniques to Improve the Identification of GPCR-Focused Compound Libraries
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Intuitive Patent Markush Structure Visualization Tool for Medicinal Chemists
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferred← citeshttps://doi.org/10.1021/ci950173lopenalex-snapshot
The Sheffield Generic Structures Projecta Retrospective Review
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Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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Optimum Utilization of a Compound Collection or Chemical Library for Drug Discovery
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Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis
inferred← citeshttps://doi.org/10.1021/jm0101141openalex-snapshot
Hierarchy of Simulation Models in Predicting Structure and Energetics of the Src SH2 Domain Binding to Tyrosyl Phosphopeptides
inferred← citeshttps://doi.org/10.1021/jm0303195openalex-snapshot
Classification of Kinase Inhibitors Using a Bayesian Model
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inferred← citeshttps://doi.org/10.1021/jm051201mopenalex-snapshot
Kinase Patent Space Visualization Using Chemical Replacements
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Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
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NEAREST NEIGHBOUR SEARCHING IN BINARY SEARCH TREES: SIMULATION OF A MULTIPROCESSOR SYSTEM
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Textual and chemical information processing using parallel computer hardware
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