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The CAS ONLINE search system. 1. General system design and selection, generation, and use of search screens
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Computer-Aided Estimation of Synthetic CompoundsSimilarity with Endogenous Bioregulations
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Chemical Abstracts Service Information System
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Structural Similarity Measures for Database Searching
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Three‐dimensional Structure Searching
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Information Retrieval
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Recent Trends in Quantitative Structure‐Activity Relationships
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Searching Databases of Three‐Dimensional Structures
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Similarity Searching in Databases of Chemical Structures
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Descriptor‐Based Similarity Measures for Screening Chemical Databases
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A History of Chemoinformatics
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The CAS Information System: Applying Scientific Knowledge and Technology for Better Information
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Chemoinformatics at the CADD Group of the National Cancer Institute
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Similarity methods in chemoinformatics
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The five‐axiom theory of indexing and information supply
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A review of chemical structure retrieval systems
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Automatic classification of chemical structure databases using a highly parallel array processor
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Comparison of Fragment Weighting Schemes for Substructural Analysis
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Further Comparative Studies of Fragment Weighting Schemes for Substructural Analysis
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A review of molecular representation in the age of machine learning
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Representation of chemical structures
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Computer als Hilfsmittel für die Informationsversorgung Online-Literatur- und Struktur-Recherchen
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Problems of Substructure Search and Their Solution
inferred← citeshttps://doi.org/10.1007/978-3-642-73975-0_14openalex-snapshot
Substructure Searching in Files of Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1007/978-3-642-73975-0_21openalex-snapshot
Poster Session: Potential Enhancements to the CAS Chemical Registry System
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Current Approaches and New Directions in the Management of In-House Chemical Structure Databases
inferred← citeshttps://doi.org/10.1007/978-3-642-78027-1_29openalex-snapshot
Chemical Structure Handling Using the Distributed Array Processor
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Similarity-searching and clustering algorithms for processing databases of two-dimensional and three-dimensional chemical structures
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Optimization and visualization of molecular diversity of combinatorial libraries
inferred← citeshttps://doi.org/10.1007/bf03380178openalex-snapshot
Computational tools for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1007/s10822-005-9023-1openalex-snapshot
The centroidal algorithm in molecular similarity and diversity calculations on confidential datasets
inferred← citeshttps://doi.org/10.1016/0167-8191(87)90025-1openalex-snapshot
Use of text signatures for document retrieval in a highly parallel environment
inferred← citeshttps://doi.org/10.1016/0263-7855(86)80088-1openalex-snapshot
Pharmacophoric pattern matching in files of 3-D chemical structures: selection of interatomic distance screens
inferred← citeshttps://doi.org/10.1016/0306-4573(91)90083-xopenalex-snapshot
Introduction: Parallel processing and information retrieval
inferred← citeshttps://doi.org/10.1016/0898-1221(92)90125-2openalex-snapshot
Pattern associativity and the retrieval of semantic networks
inferred← citeshttps://doi.org/10.1016/0898-5529(88)90026-7openalex-snapshot
Transputer implementations of chemical substructure searching algorithms
inferred← citeshttps://doi.org/10.1016/0898-5529(90)90163-3openalex-snapshot
Characteristics of computer-generated 3D and related molecular property data for CAS registry substances
inferred← citeshttps://doi.org/10.1016/j.biopha.2024.117070openalex-snapshot
scDrug+: predicting drug-responses using single-cell transcriptomics and molecular structure
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)84758-3openalex-snapshot
Registry and search of chemical compounds on graphics display
inferred← citeshttps://doi.org/10.1016/s0165-7208(02)80014-9openalex-snapshot
Computational methods for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1016/s0169-7439(99)00003-9openalex-snapshot
Structure–camphor odour relationships using the Generation and Selection of Pertinent Descriptors approach
inferred← citeshttps://doi.org/10.1021/acsinfocus.7e7006openalex-snapshot
Molecular Representations for Machine Learning
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Chemical Information: From Print to the Internet
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Looking Back, But Not in Anger
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch006openalex-snapshot
Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status
inferred← citeshttps://doi.org/10.1021/ci00002a004openalex-snapshot
The development of versions 3 and 4 of the Cambridge Structural Database System
inferred← citeshttps://doi.org/10.1021/ci0100649openalex-snapshot
New Diversity Calculations Algorithms Used for Compound Selection
inferred← citeshttps://doi.org/10.1023/a:1015972508135openalex-snapshot
Differential Molecular Connectivity in Data-Base Fragment Searching
inferred← citeshttps://doi.org/10.1039/d5cs00053jopenalex-snapshot
Accelerating battery innovation: AI-powered molecular discovery
inferred← citeshttps://doi.org/10.1055/s-0038-1638694openalex-snapshot
In Cereo and in Silico: Tissue Microarray (TMA) Techniques and Bioinformatics Are Thriving Forces in Medical Science and Personalized Medicine
inferred← citeshttps://doi.org/10.1080/10629369308028828openalex-snapshot
Neural Network Classification of Mutagens Using Structural Fragment Data
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A data synthesis framework and case study supporting risk-based prioritization of additives and polymer-associated chemistries
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An evaluation of document retrieval from serial files using the ICL Distributed Array Processor
inferred← citeshttps://doi.org/10.1108/eb024214openalex-snapshot
Chemical substructure searching: comparing three commercially available databases
inferred← citeshttps://doi.org/10.1108/eb026803openalex-snapshot
NEAREST NEIGHBOUR SEARCHING IN BINARY SEARCH TREES: SIMULATION OF A MULTIPROCESSOR SYSTEM
inferred← citeshttps://doi.org/10.1109/iccisci.2012.6297272openalex-snapshot
Application of fuzzy clustering analysis to compound datasets for drug lead identification
inferred← citeshttps://doi.org/10.1177/01655515030294003openalex-snapshot
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis
inferred← citeshttps://doi.org/10.1177/0165551507084631openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
inferred← citeshttps://doi.org/10.1177/016555158701300405openalex-snapshot
Information retrieval research in the Department of Information Studies, University of Sheffield: 1965-1985
inferred← citeshttps://doi.org/10.1177/016555159001600503openalex-snapshot
Parallel search methods of a document database in a distributed computer system: a case study
inferred← citeshttps://doi.org/10.1241/johokanri.42.230openalex-snapshot
Development of chemical registry system for polymer: Module in JST polymer database "PoLyInfo"
inferred← citeshttps://doi.org/10.32469/10355/5000openalex-snapshot
Heuristics for searching chemical structures
inferred← citeshttps://doi.org/10.48550/arxiv.2108.04682openalex-snapshot
ChemiRise: a data-driven retrosynthesis engine
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Développement de méthodologies innovantes pour la caractérisation d’interfaces protéine-protéine et la conception d’inhibiteurs spécifiques : exploration de l’interface protéique de RhoA /ArhGEF1
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