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Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125915openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/jcc.540080426openalex-snapshot
The shape of molecular charge distributions: Group theory without symmetry
inferredcites →https://doi.org/10.1002/jcc.540090606openalex-snapshot
Shape group studies of molecular similarity and regioselectivity in chemical reactions
inferredcites →https://doi.org/10.1002/jcc.540111004openalex-snapshot
The application of molecular similarity calculations
inferredcites →https://doi.org/10.1002/jcc.540161006openalex-snapshot
Toward similarity measures for macromolecular bodies: Medla test calculations for substituted benzene systems
inferredcites →https://doi.org/10.1002/jcc.540161205openalex-snapshot
Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2‐phenyl pyrimidine
inferredcites →https://doi.org/10.1002/qua.560170612openalex-snapshot
How similar is a molecule to another? An electron density measure of similarity between two molecular structures
inferredcites →https://doi.org/10.1002/qua.560320412openalex-snapshot
LCAO–MO similarity measures and taxonomy
inferredcites →https://doi.org/10.1002/qua.560320814openalex-snapshot
Molecular similarity based on electrostatic potential and electric field
inferredcites →https://doi.org/10.1002/qua.560420308openalex-snapshot
Shape similarity and shape stability along reaction paths: The case of the PPO → OPP isomerization
inferredcites →https://doi.org/10.1002/qua.560420607openalex-snapshot
Molecular quantum similarity measures and N‐dimensional representation of quantum objects. I. Theoretical foundations
inferredcites →https://doi.org/10.1002/qua.560420608openalex-snapshot
Molecular quantum similarity measures and N‐dimensional representation of quantum objects. II. Practical applications
inferredcites →https://doi.org/10.1002/qua.560430504openalex-snapshot
Relations among functional groups within a stoichiometry: A nuclear configuration space approach
inferredcites →https://doi.org/10.1007/978-94-011-1350-2openalex-snapshot
Molecular Similarity in Drug Design
inferredcites →https://doi.org/10.1007/978-94-011-3584-9openalex-snapshot
Theoretical and Computational Models for Organic Chemistry
inferredcites →https://doi.org/10.1007/bf01114847openalex-snapshot
Three properties of relative shape envelopes of molecular electron density contours
inferredcites →https://doi.org/10.1007/bf01164193openalex-snapshot
Similarity analysis in two and three dimensions using lattice animals and polycubes
inferredcites →https://doi.org/10.1007/bf01164644openalex-snapshot
Topological shape analysis of chain molecules: An application of the GSTE principle
inferredcites →https://doi.org/10.1007/bf01166045openalex-snapshot
A review and examination of the mathematical spaces underlying molecular similarity analysis
inferredcites →https://doi.org/10.1007/bf01166298openalex-snapshot
Shape group studies of molecular similarity: Shape groups and shape graphs of molecular contour surfaces
inferredcites →https://doi.org/10.1007/bf01166299openalex-snapshot
Global and local relative convexity and oriented relative convexity; application to molecular shapes in external fields
inferredcites →https://doi.org/10.1007/bf01166926openalex-snapshot
The?, ?, ?- Hull and theT-hull of a point set: Tools for the analysis of shapes and relative orientations of objects in 3d-space
inferredcites →https://doi.org/10.1007/bf01200814openalex-snapshot
The degree of similarity of three-dimensional bodies: Application to molecular shape analysis
inferredcites →https://doi.org/10.1007/bf02293119openalex-snapshot
Shape analysis of macromolecular electron densities
inferredcites →https://doi.org/10.1016/0010-4655(89)90070-2openalex-snapshot
Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation
inferredcites →https://doi.org/10.1016/0263-7855(88)80061-4openalex-snapshot
Shape group studies of molecular similarity: relative shapes of Van der Waals and electrostatic potential surfaces of nicotinic agonists
inferredcites →https://doi.org/10.1016/0263-7855(88)85008-2openalex-snapshot
Description of molecular surface shape using Fourier descriptors
inferredcites →https://doi.org/10.1021/ci00010a003openalex-snapshot
A momentum-space approach to molecular similarity
inferredcites →https://doi.org/10.1021/ci00010a011openalex-snapshot
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations
inferredcites →https://doi.org/10.1021/ci00010a017openalex-snapshot
Similarity ideas in the theory of pericyclic reactivity
inferredcites →https://doi.org/10.1021/ci00010a018openalex-snapshot
Similarity concepts for the planning of organic reactions and syntheses
inferredcites →https://doi.org/10.1021/ci00010a019openalex-snapshot
Reaction prediction: the suggestions of the Beppe program
inferredcites →https://doi.org/10.1021/ci00010a020openalex-snapshot
Computer-assisted perception of similarity using the Chiron program: a powerful tool for the analysis and prediction of biogenetic patterns
inferredcites →https://doi.org/10.1021/ci00010a021openalex-snapshot
Automatic interpretation of infrared spectra: recognition of aromatic substitution patterns using neural networks
inferredcites →https://doi.org/10.1021/ci00010a022openalex-snapshot
Computational neural networks as model-free mapping devices
inferredcites →https://doi.org/10.1021/ci00010a023openalex-snapshot
Application of recurrent neural networks in chemistry. Prediction and classification of carbon-13 NMR chemical shifts in a series of monosubstituted benzenes
inferredcites →https://doi.org/10.1021/ci00011a016openalex-snapshot
Rapid evaluation of shape similarity using Gaussian functions
inferredcites →https://doi.org/10.1021/ci00018a002openalex-snapshot
Iterated similarity sequences and shape ID numbers for molecules
inferredcites →https://doi.org/10.1021/ci00025a027openalex-snapshot
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems
inferredcites →https://doi.org/10.1021/j100349a014openalex-snapshot
Molecular similarity and molecular shape changes along reaction paths: a topological analysis and consequences on the Hammond postulate
inferredcites →https://doi.org/10.1039/c39860001342openalex-snapshot
A semi-empirical method for calculating molecular similarity
inferredcites →https://doi.org/10.1109/tit.1983.1056714openalex-snapshot
On the shape of a set of points in the plane
inferredcites →https://doi.org/10.1139/v94-120openalex-snapshot
Quantum chemical shape: new density domain relations for the topology of molecular bodies, functional groups, and chemical bonding
inferredcites →https://doi.org/10.1524/zpch.1970.71.4_6.334openalex-snapshot
Advances in Quantum Chemistry
inferredcites →https://doi.org/10.5860/choice.32-0310openalex-snapshot
Shape in chemistry: an introduction to molecular shape and topology
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527629213.ch25openalex-snapshot
Quantum‐Chemical Descriptors in QSAR/QSPR Modeling: Achievements, Perspectives and Trends
inferred← citeshttps://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferred← citeshttps://doi.org/10.1007/978-3-030-49345-5_10openalex-snapshot
Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure
inferred← citeshttps://doi.org/10.1007/s10910-011-9889-1openalex-snapshot
A new manner to use application of Shannon Entropy in similarity computation
inferred← citeshttps://doi.org/10.1007/s10910-015-0506-6openalex-snapshot
Computation of the molecular shapes’ similarity and diversity using USR method and General Shape Index
inferred← citeshttps://doi.org/10.1016/s0065-3276(00)38002-9openalex-snapshot
Extended density functions
inferred← citeshttps://doi.org/10.1016/s1873-9776(98)80010-2openalex-snapshot
Topology and the quantum chemical shape concept
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b08298openalex-snapshot
Characterizing Chemical Similarity with Vibrational Spectroscopy: New Insights into the Substituent Effects in Monosubstituted Benzenes
inferred← citeshttps://doi.org/10.1023/a:1008358311015openalex-snapshot
Relative Local Convexity Approaches for Accessibility Studies of Molecular Regions
inferred← citeshttps://doi.org/10.1063/1.3225340openalex-snapshot
T-Hulls, Discretization, and Partially Ordered Sets in Molecular Shape Analysis
inferred← citeshttps://doi.org/10.1063/1.5137911openalex-snapshot
A functorial approach to analogous molecular systems
inferred← citeshttps://doi.org/10.3233/jcm-160653openalex-snapshot
Iterated similarity sequences and factorial level similarities in databases
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