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Computer-Assisted Examination of Chemical Compounds for Structural Similarities
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470125786.ch6openalex-snapshot
Searching Databases of Three‐Dimensional Structures
inferred← citeshttps://doi.org/10.1002/ange.19941061121openalex-snapshot
Die Bestimmung größter deckungsgleicher Teilstrukturen mit einem genetischen Algorithmus: Anwendung in der Syntheseplanung und zur strukturellen Analyse biologischer Aktivität
inferred← citeshttps://doi.org/10.1002/anie.199411891openalex-snapshot
The Determination of Maximum Common Substructures by a Genetic Algorithm: Application in Synthesis Design and for the Structural Analysis of Biological Activity
inferred← citeshttps://doi.org/10.1002/jcc.540080413openalex-snapshot
Linear notations and molecular graph similarity
inferred← citeshttps://doi.org/10.1002/minf.201100078openalex-snapshot
Rule‐Based Classification of Chemical Structures by Scaffold
inferred← citeshttps://doi.org/10.1002/qsar.19860050305openalex-snapshot
Three‐Dimensional Quantitative Structure‐Activity Relationships I. General Approach to the Pharmacophore Model Validation
inferred← citeshttps://doi.org/10.1002/recl.19921110605openalex-snapshot
A collection of computer methods for synthesis design and reaction prediction
inferred← citeshttps://doi.org/10.1007/3-540-58672-5_25openalex-snapshot
Identification of structural similarity of organic molecules
inferred← citeshttps://doi.org/10.1007/978-3-642-74140-1_15openalex-snapshot
Ranking and Clustering of Chemical Structure Databases
inferred← citeshttps://doi.org/10.1007/bf00126218openalex-snapshot
A fast and efficient method for 2D and 3D molecular shape description
inferred← citeshttps://doi.org/10.1007/bf01532992openalex-snapshot
Upperbound procedures for the identification of similar three-dimensional chemical structures
inferred← citeshttps://doi.org/10.1016/0004-3702(93)90068-mopenalex-snapshot
DENDRAL: A case study of the first expert system for scientific hypothesis formation
inferred← citeshttps://doi.org/10.1016/0898-5529(88)90008-5openalex-snapshot
Automatic recognition of reaction site in organic chemical reactions
inferred← citeshttps://doi.org/10.1016/0898-5529(89)90019-5openalex-snapshot
CLUSMOL: A system for the conceptual clustering of molecules
inferred← citeshttps://doi.org/10.1016/0898-5529(89)90046-8openalex-snapshot
Tree-structured maximal common subgraph searching. An example of parallel computation with a single sequential processor
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20195-7openalex-snapshot
Chemical Similarity and Substructure Searches
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00048-8openalex-snapshot
Chemical Similarity and Substructure Searches
inferred← citeshttps://doi.org/10.1016/b978-0-444-88864-8.50094-7openalex-snapshot
AUTOMATIC RECOGNITION OF COMMON STRUCTURAL FEATURES AMONG CHEMICAL COMPOUNDS USING REDUCED STRUCTURE REPRESENTATION BASED ON FUNCTIONAL GROUPS
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)80388-8openalex-snapshot
A new system, tutors, for computer-aided molecular design
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)82080-2openalex-snapshot
Identification of maximal common substructures in structure/activity studies
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)83783-6openalex-snapshot
Automated recognition of common geometrical patterns among a variety of three-dimensional moleculars structures
inferred← citeshttps://doi.org/10.1016/s1873-9776(98)80011-4openalex-snapshot
Structural similarity analysis based on topological fragment spectra
inferred← citeshttps://doi.org/10.1021/ac50057a023openalex-snapshot
Computerized mass spectrum prediction and ranking
inferred← citeshttps://doi.org/10.1021/ac50057a024openalex-snapshot
Direct mass spectrometric determination of silicone membrane permeable electrochemical products
inferred← citeshttps://doi.org/10.1021/ci100297yopenalex-snapshot
MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules
inferred← citeshttps://doi.org/10.1021/ci950169+openalex-snapshot
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1023/a:1021271615909openalex-snapshot
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
inferred← citeshttps://doi.org/10.1109/iv.2005.11openalex-snapshot
A Novel Efficient Algorithm for Determining Maximum Common Subgraphs
inferred← citeshttps://doi.org/10.1145/2908812.2908858openalex-snapshot
A Simulated Annealing Algorithm for Maximum Common Edge Subgraph Detection in Biological Networks
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-o6openalex-snapshot
FMCS: a novel algorithm for the multiple MCS problem
inferred← citeshttps://doi.org/10.2116/analsci.2.321openalex-snapshot
Enumeration of Unique Substructures from a Chemical Structure
inferred← citeshttps://doi.org/10.2116/analsci.3.23openalex-snapshot
Recognition of Largest Common Structural Fragment among a Variety of Chemical Structures
inferred← citeshttps://doi.org/10.3390/a2010498openalex-snapshot
A Novel Algorithm for Macromolecular Epitope Matching
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