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Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms
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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/(sici)1096-987x(199712)18:16<2023::aid-jcc7>3.0.co;2-nopenalex-snapshot
Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19990715)20:9<911::aid-jcc2>3.0.co;2-oopenalex-snapshot
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example
inferredcites →https://doi.org/10.1002/(sici)1099-1395(199906)12:6<447::aid-poc143>3.0.co;2-7openalex-snapshot
Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids
inferredcites →https://doi.org/10.1002/1097-461x(2000)79:3<163::aid-qua2>3.0.co;2-0openalex-snapshot
Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models
inferredcites →https://doi.org/10.1002/1097-461x(2000)80:3<265::aid-qua1>3.0.co;2-kopenalex-snapshot
Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods
inferredcites →https://doi.org/10.1002/qsar.19970160605openalex-snapshot
Structure‐Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices
inferredcites →https://doi.org/10.1007/3-540-58671-7_6openalex-snapshot
Foundations and recent developments on molecular quantum similarity
inferredcites →https://doi.org/10.1007/978-1-4757-3273-3_12openalex-snapshot
Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity
inferredcites →https://doi.org/10.1007/978-3-642-57273-9openalex-snapshot
Molecular Quantum Similarity in QSAR and Drug Design
inferredcites →https://doi.org/10.1007/978-94-015-8488-3_1openalex-snapshot
Theoretical Foundation of Quantum Molecular Similarity
inferredcites →https://doi.org/10.1007/bf00999522openalex-snapshot
Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results
inferredcites →https://doi.org/10.1007/bf01165130openalex-snapshot
On quantum molecular similarity measures (QMSM) and indices (QMSI)
inferredcites →https://doi.org/10.1007/bf03545798openalex-snapshot
Two-dimensional BF model quantized in the axial gauge
inferredcites →https://doi.org/10.1016/s0166-1280(00)00363-8openalex-snapshot
Quantum mechanical origin of QSAR: theory and applications
inferredcites →https://doi.org/10.1016/s0166-1280(98)00155-9openalex-snapshot
A general survey of molecular quantum similarity
inferredcites →https://doi.org/10.1021/ci00028a015openalex-snapshot
Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting Coefficients to Positive Values
inferredcites →https://doi.org/10.1021/ci0004558openalex-snapshot
Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR
inferredcites →https://doi.org/10.1021/ci980410vopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family
inferredcites →https://doi.org/10.1021/ci9903408openalex-snapshot
Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study
inferredcites →https://doi.org/10.1021/ja00134a023openalex-snapshot
Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
inferredcites →https://doi.org/10.1023/a:1008059505361openalex-snapshot
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach
inferredcites →https://doi.org/10.1023/a:1008136520396openalex-snapshot
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies
inferredcites →https://doi.org/10.1023/a:1019123914357openalex-snapshot
Fuzzy sets and Boolean tagged sets
inferredcites →https://doi.org/10.1023/a:1019177426169openalex-snapshot
On the extension of quantum similarity to atomic nuclei: Nuclear quantum similarity
inferredcites →https://doi.org/10.2307/3225339openalex-snapshot
Numerical Taxonomy: The Principles and Practice of Numerical Classification
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.21510openalex-snapshot
Commentaries on quantum similarity (1): Density gradient quantum similarity
inferred← citeshttps://doi.org/10.1002/jcc.21644openalex-snapshot
Communications on quantum similarity, part 3: A geometric‐quantum similarity molecular superposition algorithm
inferred← citeshttps://doi.org/10.1002/qsar.200510162openalex-snapshot
Quantitative Structure–Activity Relationship of the 4,5α‐Dihydrotestosterone Steroid Family
inferred← citeshttps://doi.org/10.1002/wcms.1223openalex-snapshot
Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_440openalex-snapshot
Quantum Similarity and Quantum Quantitative Structure-Properties Relationships (QQSPR)
inferred← citeshttps://doi.org/10.1007/bf02708346openalex-snapshot
Molecular quantum similarity using conceptual DFT descriptors
inferred← citeshttps://doi.org/10.1007/s00214-004-0625-9openalex-snapshot
Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts
inferred← citeshttps://doi.org/10.1007/s10910-005-9013-5openalex-snapshot
On the Topological Sense of Chemical Sets
inferred← citeshttps://doi.org/10.1007/s10910-007-9305-zopenalex-snapshot
A quantum similarity matrix (QSM) Aufbau procedure
inferred← citeshttps://doi.org/10.1007/s10910-011-9920-6openalex-snapshot
Scaled Euclidian distances: a general dissimilarity index with a suitably defined geometrical foundation
inferred← citeshttps://doi.org/10.1007/s10910-019-01035-yopenalex-snapshot
On the impossibility of unambiguously selecting the best model for fitting data
inferred← citeshttps://doi.org/10.1016/b978-0-32-390257-1.00025-5openalex-snapshot
Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.04.001openalex-snapshot
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
inferred← citeshttps://doi.org/10.1016/j.jcp.2005.11.020openalex-snapshot
The Fourier transform method and the SD¯ approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals
inferred← citeshttps://doi.org/10.1016/j.theochem.2005.02.030openalex-snapshot
Assessment of the performance of cluster analysis grouping using pharmacophores as molecular descriptors
inferred← citeshttps://doi.org/10.1016/s0065-3276(05)49003-6openalex-snapshot
Mathematical Elements of Quantum Electronic Density Functions
inferred← citeshttps://doi.org/10.1021/ci050491copenalex-snapshot
Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure−Function Relationships for Auxin−like Molecules
inferred← citeshttps://doi.org/10.1021/ci5006367openalex-snapshot
CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method
inferred← citeshttps://doi.org/10.1080/10629360701304113openalex-snapshot
About the prediction of molecular properties using the fundamental Quantum QSPR (QQSPR) equation
inferred← citeshttps://doi.org/10.1088/0305-4470/38/33/009openalex-snapshot
Analytical and numerical development for the two-centre overlap-like quantum similarity integrals over Slater-type functions
inferred← citeshttps://doi.org/10.1142/s0219633605001866openalex-snapshot
ANALYTICAL DEVELOPMENT OF MULTICENTER OVERLAP-LIKE QUANTUM SIMILARITY INTEGRALS OVER SLATER TYPE ORBITALS AND NUMERICAL EVALUATION
inferred← citeshttps://doi.org/10.1186/1471-2105-15-s16-s5openalex-snapshot
Combining spatial and chemical information for clustering pharmacophores
inferred← citeshttps://doi.org/10.1201/9781420065442-20openalex-snapshot
Molecular Quantum Similarity
inferred← citeshttps://doi.org/10.1201/9781420065442.ch16openalex-snapshot
Molecular Quantum Similarity
inferred← citeshttps://doi.org/10.2174/156802610790232242openalex-snapshot
Quantum Mechanical Methods for Drug Design
inferred← citeshttps://doi.org/10.24054/01204211.v1.n1.2004.17openalex-snapshot
LOS ELEMENTOS QUÍMICOS, SU MATEMÁTICA Y RELACIÓN CON EL SISTEMA PERIÓDICO
inferred← citeshttps://doi.org/10.3390/molecules201018107openalex-snapshot
A Quantum-Based Similarity Method in Virtual Screening
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