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Representation of chemical structures
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Chemical Abstracts Service Chemical Registry System: History, scope, and impacts
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A Combined Application of Reaction Prediction and Infrared Spectra Simulation for the Identification of Degradation Products of s ‐Triazine Herbicides
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Databases of Chemical Structures
inferredcites →https://doi.org/10.1002/9783527618279.ch2openalex-snapshot
A History of Chemoinformatics
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Representation of Molecular Structures‐Overview
inferredcites →https://doi.org/10.1002/9783527618279.ch32openalex-snapshot
Current State of the Art of Markush Topological Search Systems
inferredcites →https://doi.org/10.1002/9783527618279.ch4openalex-snapshot
Chemical Nomenclature and Structure Representation: Algorithmic Generation and Conversion
inferredcites →https://doi.org/10.1002/9783527618279.ch8openalex-snapshot
Representation and Manipulation of Stereochemistry
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Computer‐Assisted Planning of Organic Syntheses: The Second Generation of Programs
inferredcites →https://doi.org/10.1002/anie.199526741openalex-snapshot
Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks
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Similarity methods in chemoinformatics
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Basic Overview of Chemoinformatics.
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Scaffold‐Hopping Potential of Ligand‐Based Similarity Concepts
inferredcites →https://doi.org/10.1002/jcc.540150802openalex-snapshot
Hash codes for the identification and classification of molecular structure elements
inferredcites →https://doi.org/10.1002/jcc.540160205openalex-snapshot
Poling: Promoting conformational variation
inferredcites →https://doi.org/10.1002/nadc.20050530416openalex-snapshot
Chemische Nomenklatur per Mausklick
inferredcites →https://doi.org/10.1002/nadc.200744629openalex-snapshot
Über die Kunst, dem Rechner das Lesen beizubringen
inferredcites →https://doi.org/10.1002/prot.20469openalex-snapshot
Application of InChI to curate, index, and query 3‐D structures
inferredcites →https://doi.org/10.1002/ps.2780050316openalex-snapshot
The use of computers with chemical structural information: ICI CROSSBOW system
inferredcites →https://doi.org/10.1002/qsar.200510157openalex-snapshot
A Fragment‐weighted Key‐based Similarity Measure for Use in Structural Clustering and Virtual Screening
inferredcites →https://doi.org/10.1007/11875741_11openalex-snapshot
High-Throughput Identification of Chemistry in Life Science Texts
inferredcites →https://doi.org/10.1007/978-3-642-78027-1_17openalex-snapshot
The Standard Molecular Data (SMD) Format
inferredcites →https://doi.org/10.1007/978-3-642-78027-1_20openalex-snapshot
Computer Representation and Searching of Chemical Substances
inferredcites →https://doi.org/10.1007/978-3-642-78027-1_9openalex-snapshot
Automatic Translation of GENSAL Representations of Markush Structures into Gremas Fragment Codes at IDC
inferredcites →https://doi.org/10.1007/bf01532050openalex-snapshot
MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties
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/10.1007/bf03380179openalex-snapshot
Computer representation and manipulation of combinatorial libraries
inferredcites →https://doi.org/10.1007/bf03380184openalex-snapshot
Commercial software systems for diversity analysis
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An algebraic model of constitutional chemistry as a basis for chemical computer programs
inferredcites →https://doi.org/10.1007/s00216-005-0065-yopenalex-snapshot
Chemoinformatics: a new field with a long tradition
inferredcites →https://doi.org/10.1007/s00894-005-0278-1openalex-snapshot
A global resource for computational chemistry
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
inferredcites →https://doi.org/10.1007/s10822-004-4060-8openalex-snapshot
An automated PLS search for biologically relevant QSAR descriptors
inferredcites →https://doi.org/10.1007/s10822-010-9338-4openalex-snapshot
Tautomerism in chemical information management systems
inferredcites →https://doi.org/10.1016/0020-0271(68)90004-1openalex-snapshot
A modified IUPAC-Dyson notation system for chemical structures
inferredcites →https://doi.org/10.1016/0039-128x(68)90048-2openalex-snapshot
The wiswesser line-formula chemical notation
inferredcites →https://doi.org/10.1016/0160-9327(85)90094-8openalex-snapshot
Communication, storage and retrieval of chemical information
inferredcites →https://doi.org/10.1016/0263-7855(86)80088-1openalex-snapshot
Pharmacophoric pattern matching in files of 3-D chemical structures: selection of interatomic distance screens
inferredcites →https://doi.org/10.1016/0263-7855(87)80044-9openalex-snapshot
Pharmacophoric pattern matching in files of 3D chemical structures: evaluation of search performance
inferredcites →https://doi.org/10.1016/0263-7855(87)80045-0openalex-snapshot
Pharmacophoric pattern matching in files of 3D chemical structures: comparison of geometric searching algorithms
inferredcites →https://doi.org/10.1016/0306-4573(79)90054-2openalex-snapshot
The supply of information on chemical reactions in the IDC system
inferredcites →https://doi.org/10.1016/0306-4573(85)90030-5openalex-snapshot
Chemical nomenclature usage
inferredcites →https://doi.org/10.1016/0306-4573(87)90113-0openalex-snapshot
Current research into chemical and textual information retrieval at the department of information studies, University of Sheffield
inferredcites →https://doi.org/10.1016/0898-5529(89)90045-6openalex-snapshot
GREDIA: A new access to GREMAS databases
inferredcites →https://doi.org/10.1016/0898-5529(90)90119-sopenalex-snapshot
Selection of screens for three-dimensional substructure searching
inferredcites →https://doi.org/10.1016/0898-5529(90)90156-3openalex-snapshot
Automatic generation of 3D-atomic coordinates for organic molecules
inferredcites →https://doi.org/10.1016/b0-08-045044-x/00091-2openalex-snapshot
The Cambridge Crystallographic Database
inferredcites →https://doi.org/10.1016/j.chemolab.2005.06.022openalex-snapshot
The central role of chemoinformatics
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
inferredcites →https://doi.org/10.1016/j.drudis.2008.03.015openalex-snapshot
Internet-based tools for communication and collaboration in chemistry
inferredcites →https://doi.org/10.1016/j.drudis.2008.03.017openalex-snapshot
A perspective of publicly accessible/open-access chemistry databases
inferredcites →https://doi.org/10.1016/j.wpi.2003.10.017openalex-snapshot
A change of paradigms: looking back to the pioneer years of patent information management (1960–1990)
inferredcites →https://doi.org/10.1016/j.wpi.2008.09.012openalex-snapshot
Towards in-house searching of Markush structures from patents
inferredcites →https://doi.org/10.1016/s0003-2670(00)82062-0openalex-snapshot
Computer-assisted reaction prediction and synthesis design
inferredcites →https://doi.org/10.1016/s0020-0271(65)80001-8openalex-snapshot
Eine topologische kurzdarstellung chemischer strukturformeln für die dokumentation mit elektronischen rechenanlagen
inferredcites →https://doi.org/10.1016/s0076-6879(97)77032-0openalex-snapshot
[30] Macromolecular crystallographic information file
inferredcites →https://doi.org/10.1016/s0172-2190(00)00108-3openalex-snapshot
Current state of the art of Markush topological search systems
inferredcites →https://doi.org/10.1016/s1093-3263(00)00067-xopenalex-snapshot
Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries
inferredcites →https://doi.org/10.1016/s1359-6446(04)03071-5openalex-snapshot
Computational Medicinal Chemistry for Drug Discovery
inferredcites →https://doi.org/10.1016/s1359-6446(05)03682-2openalex-snapshot
Mining chemical structural information from the drug literature
inferredcites →https://doi.org/10.1021/bk-1989-0400openalex-snapshot
Chemical Structure Information Systems
inferredcites →https://doi.org/10.1021/bk-1989-0400.ch008openalex-snapshot
A Universal Structure/Substructure Representation for PC-Host Communication
inferredcites →https://doi.org/10.1021/bk-2005-0894.ch010openalex-snapshot
Optimization of MDL Substructure Search Keys for the Prediction of Activity and Toxicity
inferredcites →https://doi.org/10.1021/c160015a007openalex-snapshot
A Notation System for Indexing Pesticides.
inferredcites →https://doi.org/10.1021/c160017a018openalex-snapshot
The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
inferredcites →https://doi.org/10.1021/c160027a004openalex-snapshot
Conversion of Wiswesser Notation to a Connectivity Matrix for Organic Compounds
inferredcites →https://doi.org/10.1021/c160027a005openalex-snapshot
Organic Search and Display using a Connectivity Matrix Derived from Wiswesser Notation
inferredcites →https://doi.org/10.1021/c160036a018openalex-snapshot
Index Chemicus Registry System: Pragmatic Approach to Substructure Chemical Retrieval
inferredcites →https://doi.org/10.1021/c160037a014openalex-snapshot
The GREMAS System, an Intergral Part of the IDC System for Chemical Documentation
inferredcites →https://doi.org/10.1021/c160044a006openalex-snapshot
Cambridge Crystallographic Data Centre. I. Bibliographic File
inferredcites →https://doi.org/10.1021/c160050a006openalex-snapshot
Cambridge Crystallographic Data Centre. II. Structural Data File
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/c160051a008openalex-snapshot
A Qualitative Camparison of Wiswesser Line Notation with Ringdoc
inferredcites →https://doi.org/10.1021/c160053a006openalex-snapshot
Distribution of Fragment Representations in a Chemical Substructure Search Screening System
inferredcites →https://doi.org/10.1021/c160055a008openalex-snapshot
Hoffmann-La Roche's On-Line/Batch Interactive Chemical Information System
inferredcites →https://doi.org/10.1021/c160055a010openalex-snapshot
Documentation of Chemical Reactions. II. Analysis of the Wiswesser Line Notation
inferredcites →https://doi.org/10.1021/ci00001a004openalex-snapshot
The Chemical Abstracts Service generic chemical (Markush) structure storage and retrieval capability. 2. The MARPAT file
inferredcites →https://doi.org/10.1021/ci00001a005openalex-snapshot
Searching for simple generic structures
inferredcites →https://doi.org/10.1021/ci00001a006openalex-snapshot
A comparison of three online Markush databases
inferredcites →https://doi.org/10.1021/ci00001a008openalex-snapshot
A comparison of the MARPAT and Markush DARC software
inferredcites →https://doi.org/10.1021/ci00001a010openalex-snapshot
A comparison of different approaches to Markush structure handling
inferredcites →https://doi.org/10.1021/ci00002a005openalex-snapshot
Chemical Abstracts Service Chemical Registry System. 13. Enhanced handling of stereochemistry
inferredcites →https://doi.org/10.1021/ci00002a007openalex-snapshot
AUTONOM: system for computer translation of structural diagrams into IUPAC-compatible names. 2. Nomenclature of chains and rings
inferredcites →https://doi.org/10.1021/ci00002a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 11. Theoretical aspects of the use of structure languages in a retrieval system
inferredcites →https://doi.org/10.1021/ci00002a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 12. Principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search
inferredcites →https://doi.org/10.1021/ci00002a011openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation
inferredcites →https://doi.org/10.1021/ci00002a014openalex-snapshot
Structure searches in patent literature: A comparison study between IDC GREMAS and Derwent Chemical Code
inferredcites →https://doi.org/10.1021/ci00004a003openalex-snapshot
The substance module: the representation, storage, and searching of complex structures
inferredcites →https://doi.org/10.1021/ci00007a012openalex-snapshot
Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
inferredcites →https://doi.org/10.1021/ci00008a018openalex-snapshot
Kekule: OCR-optical chemical (structure) recognition
inferredcites →https://doi.org/10.1021/ci00009a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 14. Fragment generation from generic structures
inferredcites →https://doi.org/10.1021/ci00009a020openalex-snapshot
Hyperstructure model for chemical structure handling: generation and atom-by-atom searching of hyperstructures
inferredcites →https://doi.org/10.1021/ci00013a013openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 15. Generation of topological fragment descriptors from nontopological representations of generic structure components
inferredcites →https://doi.org/10.1021/ci00014a001openalex-snapshot
Substructure searching methods: Old and new
inferredcites →https://doi.org/10.1021/ci00014a004openalex-snapshot
Structure searching in chemical databases by direct lookup methods
inferredcites →https://doi.org/10.1021/ci00016a001openalex-snapshot
Comparison of Markush structure databases
inferredcites →https://doi.org/10.1021/ci00017a006openalex-snapshot
Hyperstructure model for chemical structure handling: Techniques for substructure searching
inferredcites →https://doi.org/10.1021/ci00017a009openalex-snapshot
The Beilstein Information System is not a reaction database, or is it?
inferredcites →https://doi.org/10.1021/ci00017a013openalex-snapshot
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
inferredcites →https://doi.org/10.1021/ci00017a024openalex-snapshot
Conformational searching in ISIS/3D databases
inferredcites →https://doi.org/10.1021/ci00017a025openalex-snapshot
Flexible 3D searching: The directed tweak technique
inferredcites →https://doi.org/10.1021/ci00017a026openalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
inferredcites →https://doi.org/10.1021/ci00020a003openalex-snapshot
Messenger and S4: A Comparison of Structure Search Systems
inferredcites →https://doi.org/10.1021/ci00020a039openalex-snapshot
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
inferredcites →https://doi.org/10.1021/ci00023a001openalex-snapshot
Computer Storage and Retrieval of Generic Chemical Structures in Patents. 16. The Refined Search: An Algorithm for Matching Components of Generic Chemical Structures at the Atom-Bond Level
inferredcites →https://doi.org/10.1021/ci00024a018openalex-snapshot
Analysis of Conformational Coverage. 1. Validation and Estimation of Coverage
inferredcites →https://doi.org/10.1021/ci00024a019openalex-snapshot
Analysis of Conformational Coverage. 2. Applications of Conformational Models
inferredcites →https://doi.org/10.1021/ci00025a009openalex-snapshot
The Molecular Information File (MIF): Core Specifications of a New Standard Format for Chemical Data
inferredcites →https://doi.org/10.1021/ci00026a001openalex-snapshot
Computer Storage and Retrieval of Generic Chemical Structures in Patents. 17. Evaluation of the Refined Search
inferredcites →https://doi.org/10.1021/ci00027a001openalex-snapshot
Yet Another Representation of Molecular Structure
inferredcites →https://doi.org/10.1021/ci00031a005openalex-snapshot
Use of a maximum common subgraph algorithm in the automatic identification of ostensible bond changes occurring in chemical reactions
inferredcites →https://doi.org/10.1021/ci00031a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 1. Introduction and general strategy
inferredcites →https://doi.org/10.1021/ci00031a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 2. GENSAL, a formal language for the description of generic chemical structures
inferredcites →https://doi.org/10.1021/ci00031a011openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 3. Chemical grammars and their role in the manipulation of chemical structures
inferredcites →https://doi.org/10.1021/ci00033a005openalex-snapshot
Chemical Abstracts Service chemical registry system. 9. Input structure conventions
inferredcites →https://doi.org/10.1021/ci00034a006openalex-snapshot
Chemical supply catalog indexing: now and the future. An ideal place for use of the Wiswesser line notation
inferredcites →https://doi.org/10.1021/ci00034a007openalex-snapshot
Diverse uses and future prospects for Wiswesser line-formula notation
inferredcites →https://doi.org/10.1021/ci00034a008openalex-snapshot
Graphics challenge WLN. Can WLN hold fast?
inferredcites →https://doi.org/10.1021/ci00034a009openalex-snapshot
Applications of the Wiswesser line notation at the Dow Chemical Company
inferredcites →https://doi.org/10.1021/ci00034a010openalex-snapshot
Using the Wiswesser line notation (WLN) for online, interactive searching of chemical structures
inferredcites →https://doi.org/10.1021/ci00034a011openalex-snapshot
Wiswesser line notation as a structural summary medium
inferredcites →https://doi.org/10.1021/ci00035a006openalex-snapshot
Computer storage and retrieval of generic structures in chemical patents. 4. An extended connection table representation for generic structures
inferredcites →https://doi.org/10.1021/ci00036a001openalex-snapshot
The third BASIC fragment search dictionary
inferredcites →https://doi.org/10.1021/ci00037a001openalex-snapshot
Development of CAOCI and its use in ICI plant protection division
inferredcites →https://doi.org/10.1021/ci00038a007openalex-snapshot
Computer representation of generic chemical structures by an extended block-cutpoint tree
inferredcites →https://doi.org/10.1021/ci00039a002openalex-snapshot
The CAS ONLINE search system. 1. General system design and selection, generation, and use of search screens
inferredcites →https://doi.org/10.1021/ci000404aopenalex-snapshot
Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM
inferredcites →https://doi.org/10.1021/ci000406vopenalex-snapshot
Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of Trust
inferredcites →https://doi.org/10.1021/ci00042a003openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 5. Algorithmic generation of fragment descriptors for generic structure screening
inferredcites →https://doi.org/10.1021/ci00042a004openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 6. An interpreter program for the generic structure description language GENSAL
inferredcites →https://doi.org/10.1021/ci00051a006openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
inferredcites →https://doi.org/10.1021/ci00055a007openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci00060a002openalex-snapshot
Chemical Abstracts Service Chemical Registry System. 10. Registration of substances from pre-1965 indexes of Chemical Abstracts
inferredcites →https://doi.org/10.1021/ci00060a003openalex-snapshot
Chemical Abstracts Service Chemical Registry System. 11. Substance-related statistics: update and additions
inferredcites →https://doi.org/10.1021/ci00061a002openalex-snapshot
The standard molecular data format (SMD format) as an integration tool in computer chemistry
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
inferredcites →https://doi.org/10.1021/ci00063a009openalex-snapshot
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
inferredcites →https://doi.org/10.1021/ci00063a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics
inferredcites →https://doi.org/10.1021/ci00064a004openalex-snapshot
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables
inferredcites →https://doi.org/10.1021/ci00065a002openalex-snapshot
Substructure systems: concepts and classifications
inferredcites →https://doi.org/10.1021/ci00065a018openalex-snapshot
Draft specification for revised version of the Standard Molecular Data (SMD) Format
inferredcites →https://doi.org/10.1021/ci00066a004openalex-snapshot
Computer translation of IUPAC systematic organic chemical nomenclature. 4. Concise connection tables to structure diagrams
inferredcites →https://doi.org/10.1021/ci00066a008openalex-snapshot
The Chemical Abstract's Service generic chemical (Markush) structure storage and retrieval capability. 1. Basic concepts
inferredcites →https://doi.org/10.1021/ci00067a018openalex-snapshot
AUTONOM: system for computer translation of structural diagrams into IUPAC-compatible names. 1. General design
inferredcites →https://doi.org/10.1021/ci00068a004openalex-snapshot
A user's view of chemical reaction information sources
inferredcites →https://doi.org/10.1021/ci00068a007openalex-snapshot
Status and future developments of reaction databases and online retrieval systems
inferredcites →https://doi.org/10.1021/ci00068a008openalex-snapshot
CASREACT: more than a million reactions
inferredcites →https://doi.org/10.1021/ci010056sopenalex-snapshot
Enhanced CACTVS Browser of the Open NCI Database
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci010360lopenalex-snapshot
A Framework for the Evaluation of Chemical Structure Databases
inferredcites →https://doi.org/10.1021/ci020023sopenalex-snapshot
Over 20 Years of Reaction Access Systems from MDL: A Novel Reaction Substructure Search Algorithm
inferredcites →https://doi.org/10.1021/ci025592eopenalex-snapshot
Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci0255937openalex-snapshot
Further Development of Reduced Graphs for Identifying Bioactive Compounds
inferredcites →https://doi.org/10.1021/ci0256541openalex-snapshot
Chemical Markup, XML, and the World Wide Web. 4. CML Schema
inferredcites →https://doi.org/10.1021/ci034244popenalex-snapshot
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators
inferredcites →https://doi.org/10.1021/ci0502698openalex-snapshot
Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions
inferredcites →https://doi.org/10.1021/ci050274bopenalex-snapshot
SPRESIweb 2.1, a Selective Chemical Synthesis and Reaction Database
inferredcites →https://doi.org/10.1021/ci050357sopenalex-snapshot
Molecular Field Extrema as Descriptors of Biological Activity: Definition and Validation
inferredcites →https://doi.org/10.1021/ci050400bopenalex-snapshot
The Blue Obelisk—Interoperability in Chemical Informatics
inferredcites →https://doi.org/10.1021/ci050465eopenalex-snapshot
Training Similarity Measures for Specific Activities: Application to Reduced Graphs
inferredcites →https://doi.org/10.1021/ci060016uopenalex-snapshot
Chemoinformatics: Past, Present, and Future†
inferredcites →https://doi.org/10.1021/ci060109bopenalex-snapshot
The Impact of Tautomer Forms on Pharmacophore-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci060139eopenalex-snapshot
SemanticEye: A Semantic Web Application to Rationalize and Enhance Chemical Electronic Publishing
inferredcites →https://doi.org/10.1021/ci60006a012openalex-snapshot
Selection of Descriptors According to Discrimination and Redundancy. Application to Chemical Structure Searching
inferredcites →https://doi.org/10.1021/ci60006a016openalex-snapshot
The Chemical Abstracts Service Chemical Registry System. I. General Design
inferredcites →https://doi.org/10.1021/ci60008a006openalex-snapshot
The Chemical Abstracts Service Chemical Registry System. IV. Use of the Registry System to Support the Preparation of Index Nomenclature
inferredcites →https://doi.org/10.1021/ci60008a007openalex-snapshot
The Chemical Abstracts Service Chemical Registry System. V. Structure Input and Editing
inferredcites →https://doi.org/10.1021/ci60009a003openalex-snapshot
The Chemical Abstracts Service Chemical Registry System. III. Stereochemistry
inferredcites →https://doi.org/10.1021/ci60013a008openalex-snapshot
Hash Functions for Rapid Storage and Retrieval of Chemical Structures
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Production of Printed Indexes of Chemical Reactions Using Wiswesser Line Notations
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Additional file 1 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
inferred← citeshttps://doi.org/10.6084/m9.figshare.26685087openalex-snapshot
Additional file 2 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
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Additional file 3 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
inferred← citeshttps://doi.org/10.6084/m9.figshare.26685093openalex-snapshot
Additional file 4 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
inferred← citeshttps://doi.org/10.6084/m9.figshare.26685096openalex-snapshot
Additional file 5 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
inferred← citeshttps://doi.org/10.6084/m9.figshare.26685099openalex-snapshot
Additional file 6 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
inferred← citeshttps://doi.org/10.6084/m9.figshare.26706900openalex-snapshot
Additional file 1 of Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents
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Additional file 2 of Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents
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Additional file 3 of Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents
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Additional file 4 of Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents
inferred← citeshttps://doi.org/10.70675/a6af77b4z321dz4ab5z8b89zb2a887c44ddcopenalex-snapshot
Evaluation of the use of public toxicological data for chemical hazard prediction through computational methods
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