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A review and examination of the mathematical spaces underlying molecular similarity analysis
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Linear notations and molecular graph similarity
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Computer assisted studies of chemical structure and biological function
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Nonempirical approach to structure-activity studies
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LCAO–MO similarity measures and taxonomy
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Group theory of shapes of asymmetric biomolecules
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A method for the characterization of molecular conformations
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Multidimensional Similarity Structure Analysis
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Multidimensional Scaling
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Steric Fit in Quantitative Structure-Activity Relations
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The topology of energy hypersurfaces IV. Generator sets for the fundamental group of reaction mechanisms and the complete set of reaction paths
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Metrics on spaces of finite trees
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Molecular structure and biological activity
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Communication, storage and retrieval of chemical information
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Potential energy hypersurfaces
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Graph theory and topology in chemistry
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Determining structural similarity of chemicals using graph-theoretic indices
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Similarity and clustering in chemical information systems
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QSAR in drug design and toxicology
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Molecular recognition: 3D surface structure comparison by gnomonic projection
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Identifying 3D maximal common substructures using transputer networks
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Pharmacophoric pattern matching in files of 3D chemical structures: comparison of geometric searching algorithms
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Molecular recognition: optimized searching through rotational 3-space for pattern matches on molecular surfaces
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Description of molecular surface shape using Fourier descriptors
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A characterization of molecular similarity methods for property prediction
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Artificial intelligence applications
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Cluster Analysis Applied to a Study of Race Mixture in Human Populations
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Comparison of homologous tertiary structures of proteins
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The search for functional correspondences in molecular structure between two dissimilar molecules
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Fuzzy Sets and Systems - Theory and Applications
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The Conformational Parameter in Drug Design: The Active Analog Approach
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The Similarity of Graphs and Molecules
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Simple stereochemical structure code for organic chemistry
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A new system for the designation of chemical compounds. 1. Theoretical preliminaries and the coding of acyclic compounds
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Computer-assisted examination of compounds for common three-dimensional substructures
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Structural selectivity of topological indexes in alkane series
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Optimization of a similarity metric for library searching of highly compressed vapor-phase infrared spectra
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Atom pairs as molecular features in structure-activity studies: definition and applications
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A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds
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Description of organic reactions based on imaginary transition structures. 1. Introduction of new concepts
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Coding of relational descriptions of molecular structures
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Structure-reaction type paradigm in the conventional methods of describing organic reactions and the concept of imaginary transition structures overcoming this paradigm
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A Method of Structure-Activity Correlation Using Wiswesser Line Notation
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The Automatic Detection of Chemical Reaction Sites
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Graph Theoretical Approach to Recognition of Structural Similarity in Molecules
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The Evaluation of Mass Spectral Search Algorithms
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Molecular transforms: a potential tool for structure-activity studies
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Computer-aided interpretation of mass spectra. 20. Molecular structure comparison program for the identification of maximal common substructures
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A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
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Pattern recognition. Powerful approach to interpreting chemical data
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Stereochemically unique naming algorithm
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On the significance of clusters in the graphical display of structure-activity data
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Rational selection of test series. 1. Principal component method combined with multidimensional mapping
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Distance geometry approach to rationalizing binding data
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Strategy in drug design. Cluster anlysis as an aid in the selection of substituents
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Selection of test series by a modified multidimensional mapping method
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Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
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Molecular Shape and Odour : Pattern Analysis by PAPA
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Wiswesser Line-Formula Chemical Notation
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Practical Nonparametric Statistics
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Rapid comparison of protein structures
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Estimation by the nearest neighbor rule
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular geometry and symmetry from a differential geometry viewpoint
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A fuzzy-set approach to functional-group comparisons based on an asymmetric similarity measure
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Searching Techniques for Databases of Three‐Dimensional Chemical Structures
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MOLECULAR SIMILARITY ANALYSIS
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Rational Use of Chemical and Sequence Databases
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Quantifizierung der Chiralität
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Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2‐phenyl pyrimidine
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Development of an atom mapping procedure for similarity searching in databases of three‐dimensional chemical structures
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Comparison of QSAR and Molecular Similarity Approaches for a Structure‐Activity Relationship Study of DHFR Inhibitors. DHFR Inhibitors: QSAR and Molecular Similarity Approaches
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A quantitative approach to structural similarity from molecular topology of reaction paths
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Transferability, adjustability, and additivity of fuzzy electron density fragments
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Molecular Similarity Measures
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Similarity Searching in Databases of Three-Dimensional Chemical Structures
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Chemical Structure Handling Using the Distributed Array Processor
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Calculation of Three-Dimensional Structural Similarity
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Evaluation of Similarity Searching Methods Using Activity and Toxicity Data
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Molecular similarity and complementarity based on the theory of atoms in molecules
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Quantitative structure–activity relationship studies of threo-methylphenidate analogs
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Molecular similarity measures of conformational changes and electron density deformations
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Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
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