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Shape group studies of molecular similarity: Shape groups and shape graphs of molecular contour surfaces
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Simple calculation of electrostatic isopotential maps from bond fragments
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Representation of the molecular electrostatic potential by a net atomic charge model
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The shape of molecular charge distributions: Group theory without symmetry
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How similar is a molecule to another? An electron density measure of similarity between two molecular structures
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Molecular determinants for binding of methylenedioxytryptamines at 5-HT/LSD receptors
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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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Electron Distributions and the Chemical Bond
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Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity
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Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic Polymerization
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The Electrostatic Molecular Potential of the Nucleic Acids
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On the Use of the Electrostatic Molecular Potential in Theoretical Investigations on Chemical Reactivity
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Quantum chemical reaction networks, reaction graphs and the structure of potential energy hypersurfaces
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The topology of energy hypersurfaces II. Reaction topology in euclidean spaces
inferredcites →https://doi.org/10.1007/bf00554117openalex-snapshot
Reactive domains of energy hypersurfaces and the stability of minimum energy reaction paths
inferredcites →https://doi.org/10.1007/bf02426907openalex-snapshot
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Studies in physical and theoretical chemistry
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Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials
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Electrostatic basis of structure-function correlation in proteins
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Ab initio computation of molecular similarity
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Electrostatic potentials of proteins. 1. Carboxypeptidase A
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A method of describing the charge distribution in simple molecules
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Isosterism and molecular modification in drug design
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(199608)17:11<1352::aid-jcc8>3.0.co;2-lopenalex-snapshot
Efficient algorithm for quantitative assessment of similarities among atoms in molecules
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1996)59:5<379::aid-qua2>3.0.co;2-vopenalex-snapshot
A topological analysis of molecular shape and structure
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)64:6<669::aid-qua4>3.0.co;2-uopenalex-snapshot
Molecular geometry and symmetry from a differential geometry viewpoint
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)65:6<1065::aid-qua5>3.0.co;2-topenalex-snapshot
On characterization of molecular surfaces
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The shapes of backbones of chain molecules: Three‐dimensional characterization by spherical shape maps
inferred← citeshttps://doi.org/10.1002/chin.199622313openalex-snapshot
ChemInform Abstract: Molecular Similarity Measures for Assessing Reactivity
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Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10‐electron hydrides
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Two approaches to the concept of chemical species: Relations between potential energy and molecular shape
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Analysis of molecular shape changes along reaction paths
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inferred← citeshttps://doi.org/10.1007/s10910-020-01175-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-021-01309-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-024-01663-zopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(91)85188-dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(92)87162-sopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0263-7855(90)80085-topenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-008044396-6/50019-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cagd.2006.03.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.theochem.2004.11.062openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0065-3276(08)60252-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1063/1.1775180openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/00268979909482950openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629360108032918openalex-snapshot
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