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A New Descriptor for Structure−Property and Structure−Activity Correlations

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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/jcc.540120810openalex-snapshot
On computation of optimal parameters for multivariate analysis of structure‐property relationship
inferredcites →https://doi.org/10.1002/qsar.19830020203openalex-snapshot
2n‐Factorial Schemes in Drug Design Extensions Increasing Versatility
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Predicting properties of molecules using graph invariants
inferredcites →https://doi.org/10.1007/bf02018473openalex-snapshot
On the eigenvalues of trees
inferredcites →https://doi.org/10.1016/s0021-9673(01)85209-2openalex-snapshot
The structural origin of chromatographic retention data
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/ci00002a019openalex-snapshot
The Beilstein Structure Registry System. 1. General design
inferredcites →https://doi.org/10.1021/ci9800763openalex-snapshot
Optimal Molecular Descriptors Based on Weighted Path Numbers
inferredcites →https://doi.org/10.1021/ed064p575openalex-snapshot
Molecular structure: Property relationships
inferredcites →https://doi.org/10.1021/j100474a032openalex-snapshot
Graph theoretical ordering of structures as a basis for systematic searches for regularities in molecular data
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
inferredcites →https://doi.org/10.1021/ja01193a006openalex-snapshot
Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
inferredcites →https://doi.org/10.1063/1.1746554openalex-snapshot
Influence of Neighbor Bonds on Additive Bond Properties in Paraffins
inferredcites →https://doi.org/10.1080/10629360008033226openalex-snapshot
Multiple Regression Analysis with Optimal Molecular Descriptors
inferredcites →https://doi.org/10.1080/10629369908039111openalex-snapshot
On Characterization of the CC Double Bond in Alkenes

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Process Systems Engineering, 4. Process and Product Synthesis, Design, and Analysis
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Graphs: Flexible Representations of Molecular Structures and Biological Networks
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ChemInform Abstract: A New Descriptor for Structure—Property and Structure—Activity Correlations.
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New Approach to QSPR Modeling of Fullerene C60 Solubility in Organic Solvents: An Application of SMILES-Based Optimal Descriptors
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Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
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QSAR of Heterocyclic Compounds in Large Descriptor Spaces
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Simplified molecular input line entry system-based descriptors in QSAR modeling for HIV-protease inhibitors
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Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector
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Monte Carlo method based QSAR modeling of maleimide derivatives as glycogen synthase kinase-3β inhibitors
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QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations
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SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes
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In silico prediction of the β-cyclodextrin complexation based on Monte Carlo method
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Semi-empirical topological index: Development of QSPR/QSRR and optimization for alkylbenzenes
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Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
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Molecular Chemometrics
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Simplified Molecular Input‐Line Entry System and International Chemical Identifier in the QSAR Analysis of Styrylquinoline Derivatives as HIV‐1 Integrase Inhibitors
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PROTEIN STRUCTURE: INSIGHTS FROM GRAPH THEORY
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Latest advances in molecular topology applications for drug discovery
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Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point
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OCWLGI Descriptors: Theory and Praxis
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Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§
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The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR
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Variable Connectivity Index as a Tool for Modeling Structure-Property Relationships
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QSPR/QSAR Analyses by Means of the CORAL Software
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QSPR/QSAR Analyses by Means of the CORAL Software
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Evolution of Optimal Descriptors
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Application of Monte Carlo Algorithm to Explore Simplified Molecular-Input Line-Entry System based Molecular Descriptors of BACE1 inhibitors for Therapeutic Application in Alzheimer’s Disease
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Novel QSAR and QSPR descriptors?
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Novel QSAR and QSPR descriptors?
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