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Modeling with Special Descriptors Derived from a Medium-Sized Set of Connectivity Indices
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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/anie.198608821openalex-snapshot
Geometric and Topological Thinking in Organic Chemistry
inferredcites →https://doi.org/10.1002/jps.2600641214openalex-snapshot
Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
inferredcites →https://doi.org/10.1002/jps.2600651228openalex-snapshot
Molecular Connectivity VII: Specific Treatment of Heteroatoms
inferredcites →https://doi.org/10.1002/jps.2600700602openalex-snapshot
Derivation and Significance of Valence Molecular Connectivity
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1002/jps.2600810407openalex-snapshot
Molecular Connectivity Model for Determination of Isoelectric Point of Amino Acids
inferredcites →https://doi.org/10.1007/bf00805953openalex-snapshot
Modeling the solubility and activity of amino acids with the LCCI method
inferredcites →https://doi.org/10.1007/bf01200826openalex-snapshot
Predicting properties of molecules using graph invariants
inferredcites →https://doi.org/10.1016/0097-8485(93)80008-2openalex-snapshot
Molecular connectivity model for determination of T1 relaxation times of α-carbons of amino acids and cyclic dipeptides
inferredcites →https://doi.org/10.1016/0166-1280(89)85013-4openalex-snapshot
The limits of applicability of topological indices
inferredcites →https://doi.org/10.1016/0166-1280(91)85053-aopenalex-snapshot
Correlation of enthalphy of octanes with orthogonal connectivity indices
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1021/ci00002a018openalex-snapshot
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
inferredcites →https://doi.org/10.1021/ci00005a005openalex-snapshot
Comparative study of molecular descriptors derived from the distance matrix
inferredcites →https://doi.org/10.1021/ci00011a021openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts
inferredcites →https://doi.org/10.1021/ci00011a022openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equations
inferredcites →https://doi.org/10.1021/ci00020a012openalex-snapshot
On a Graph Theoretical Characterization of Cis/Trans Isomers
inferredcites →https://doi.org/10.1021/ed064p575openalex-snapshot
Molecular structure: Property relationships
inferredcites →https://doi.org/10.1021/ed065p574openalex-snapshot
Chemical applications of graph theory. Part I. Fundamentals and topological indices
inferredcites →https://doi.org/10.1021/j100003a015openalex-snapshot
Molecular Modeling by Linear Combinations of Connectivity Indexes
inferredcites →https://doi.org/10.1021/j100056a021openalex-snapshot
Molecular connectivity descriptors of the physicochemical properties of the .alpha.-amino acids
inferredcites →https://doi.org/10.1021/j100127a026openalex-snapshot
Molecular connectivity model for determination of physicochemical properties of .alpha.-amino acids
inferredcites →https://doi.org/10.1021/ja00221a015openalex-snapshot
Molecular modeling of the physical properties of alkanes
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.3109/03602539408998324openalex-snapshot
Toxic Effects and a Structure-Property Study of Organic Explosives, Propellants, and Related Compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach
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QSAR study on pKa vis-à-vis physiological activity of sulfonamides: a dominating role of surface tension (inverse steric parameter)
inferred← citeshttps://doi.org/10.1016/j.bmcl.2004.10.075openalex-snapshot
Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor
inferred← citeshttps://doi.org/10.1016/j.bmcl.2004.10.076openalex-snapshot
QSAR study on the antibacterial activity of some sulfa drugs: building blockers of Mannich bases
inferred← citeshttps://doi.org/10.1016/j.bmcl.2004.12.056openalex-snapshot
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II
inferred← citeshttps://doi.org/10.1016/j.bmcl.2004.12.057openalex-snapshot
Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters
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Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: Dominating role of Balaban index (J)
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.08.071openalex-snapshot
QSAR study on topically acting sulfonamides incorporating GABA moieties: A molecular connectivity approach
inferred← citeshttps://doi.org/10.1016/j.ejmech.2004.03.002openalex-snapshot
QSAR study on carbonic anhydrase inhibitors: aromatic/heterocyclic sulfonamides containing 8-quinoline-sulfonyl moieties, with topical activity as antiglaucoma agents
inferred← citeshttps://doi.org/10.1016/j.ejmech.2005.04.006openalex-snapshot
QSAR study on carbonic anhydrase inhibitors: water-soluble sulfonamides incorporating β-alanyl moieties, possessing long lasting-intra ocular pressure lowering properties—a molecular connectivity approach
inferred← citeshttps://doi.org/10.1016/j.ejmech.2007.06.022openalex-snapshot
Exploration of physicochemical properties and molecular modelling studies of 2-sulfonyl-phenyl-3-phenyl-indole analogs as cyclooxygenase-2 inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.02.040openalex-snapshot
Larvicidal activities of some organotin compounds on mosquito larvae: A QSAR study
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A QSAR study for the cytotoxic activities of taxoids against macrophage (MΦ)-like cells
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.12.054openalex-snapshot
QSAR modeling of taxane analogues against colon cancer
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Antioxidative and vasodilatory effects of phenolic acids in wine
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Estimation of passive gastrointestinal absorption and membrane retention using PAMPA test, quantitative structure-permeability and quantitative structure-retention relationship analyses of ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid and…
inferred← citeshttps://doi.org/10.1016/j.jscs.2009.10.005openalex-snapshot
QSAR studies on anti-apoptotic Bcl-2 protein inhibitors
inferred← citeshttps://doi.org/10.1016/j.jscs.2009.10.006openalex-snapshot
QSAR based modeling of inhibitory activity of alkenyldiarylmethane derivatives
inferred← citeshttps://doi.org/10.1016/j.jscs.2010.02.006openalex-snapshot
Molecular modeling of 8-methoxy quinolone analogues by using quantitative structure activity relationship
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QSAR based modeling on a series of α-hydroxy amides as a novel class of bradykinin B1 selective antagonists
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QSAR based modeling of hepatitis C virus NS5B inhibitors
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QSAR based modeling on a series of lactam fused chroman derivatives as selective 5-HT transporters
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Quantitative structure activity relationship (QSAR) studies on a series of imidazole derivatives as novel ORL1 receptor antagonists
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Quantitative structure–activity relationship based modeling of substituted indole Schiff bases as inhibitor of COX-2
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Estimation of stability of coordination compounds by using topological indices
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Understanding human rhinovirus infections in terms of QSAR
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Connectivity polynomial and long-range contributions in the molecular connectivity model
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Properties of molecular connectivity terms and physicochemical properties
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QSAR prediction of toxicity of nitrobenzenes
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QSAR study on inhibition of brain 3-hydroxy-anthranilic acid dioxygenase (3-HAO): A molecular connectivity approach
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QSAR study on toxicity to aqueous organisms using the PI index
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QSAR study on competition binding of rodenticides (PATs) to H1 receptor in rat and guinea pig brain
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Topological approach to quantifying molecular lipophilicity of heterogeneous set of organic compounds
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QSAR Study on tadpole narcosis
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The prediction of melting point
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Structural invariants for the prediction of relative toxicities of polychloro dibenzo-p-dioxins and dibenzofurans
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Multiple Regression Analysis with Optimal Molecular Descriptors
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Evaluation of empirical versus non-empirical descriptors
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inferred← citeshttps://doi.org/10.1080/10629369708039124openalex-snapshot
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Insights through AM1 calculations into the structural requirement ofN-hydroxythiosemicarbazone analogs as anti-tubercular agents
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Correlation between heat of formation and fifth geometric–arithmetic index
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Neural Network Based on Quantum Chemistry for Predicting Melting Point of Organic Compounds
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QSPR Study on the Estimation of Solubility of Drug‐like Organic Compounds: A Case of Barbiturates
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01034.xopenalex-snapshot
2‐(pyrazin‐2‐yloxy)acetohydrazide Analogs QSAR Study: An Insight into the Structural Basis of Antimycobacterial Activity
inferred← citeshttps://doi.org/10.1142/s0219633617500742openalex-snapshot
Descriptor selection based on variable stability for predicting inhibitor activity
inferred← citeshttps://doi.org/10.1155/2013/795621openalex-snapshot
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Optimization of a Regression Model for a Quantitative Structure. Mutagenicity Relationship of Some Natural Amino Acids
inferred← citeshttps://doi.org/10.1897/01-363openalex-snapshot
Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point
inferred← citeshttps://doi.org/10.2174/1570180816666181226145411openalex-snapshot
Application of Topological Descriptors in QSAR Modeling: Substituted Hydrazones Used As a Model System
inferred← citeshttps://doi.org/10.2174/1573407210602010019openalex-snapshot
Use of PI Index in Computer-Aided Designing of Bioactive Compounds
inferred← citeshttps://doi.org/10.3233/jcm-130472openalex-snapshot
Computation of models for prediction of blood brain barrier permeability using molecular descriptors
inferred← citeshttps://doi.org/10.3390/i8040335openalex-snapshot
How Good Can the Characteristic Polynomial Be for Correlations?
inferred← citeshttps://doi.org/10.3998/ark.5550190.0007.g01openalex-snapshot
A QSAR study on carbonic anhydrase inhibition: predicting logKi(hCAI) by using (SO2NH2) NMR chemical shift as a molecular descriptor
inferred← citeshttps://doi.org/10.4018/ijqspr.2019070103openalex-snapshot
Exploring Cinnamic Acid Multitarget Hybrids in Terms of 2D-QSAR
inferred← citeshttps://doi.org/10.9790/5736-0412633openalex-snapshot
QSAR Studies of Some Bisphosphonates Compounds for their Anticancer Activities
inferred← citeshttps://doi.org/10.9790/5736-0630917openalex-snapshot
Effect of 3D parameters on Antifungal Activities of Some Heterocyclic Compounds
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