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Atomic-Level-Based AI Topological Descriptors for Structure−Property Correlations
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Highly discriminating distance-based topological index
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Development of 3-dimensional molecular descriptors
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Molecular Connectivity in Chemistry and Drug Research
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Quantitative structure-property relationship study of normal boiling points for halogen-/ oxygen-/ sulfur-containing organic compounds using the CODESSA program
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Maximum topological distances based indices as molecular descriptors for QSPR
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3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes
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A comment on nomenclature and the unsaturated bond
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Comparative study of molecular descriptors derived from the distance matrix
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Optimum graph-theoretical models for enthalpic properties of alkanes
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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QSAR for Boiling Points of “Small” Sulfides. Are the “High-Quality Structure-Property-Activity Regressions” the Real High Quality QSAR Models?
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Topological organic chemistry. 1. Graph theory and topological indices of alkanes
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Modeling Blood-Brain Barrier Partitioning Using the Electrotopological State
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A graph-theoretical approach to structure-property relationships
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Molecular modeling of the physical properties of alkanes
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Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
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Information theory, distance matrix, and molecular branching
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Handbook of data on common organic compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Atomic‐Level‐Based AI Topological Descriptors for Structure—Property Correlations.
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A novel semi‐empirical topological descriptor Nt and the application to study on QSPR/QSAR
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Study on the Structure‐Activity Relationship of New Anti‐HIV Nucleoside Derivatives Based on the Support Vector Machine Method
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QSPR between physical-chemical properties and molecule parameters of alkanes
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Models for anti-tumor activity of bisphosphonates using refined topochemical descriptors
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Novel distance-based atom-type topological indices DAI for QSPR/QSAR studies of alcohols
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Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water
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Atomic-level AI topological indices as efficient descriptors for developing predictive QSPR models for flash points of acyclic alkanes
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Toxicity of Aliphatic Ethers: A Comparative Study
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QSPR models for prediction of gas-to-heptane and gas-to-hexadecane solvation enthalpies of organic compounds from theoretical molecular descriptors
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Unified Linear and Nonlinear Models for Retention Prediction of Aliphatic Aldehydes and Ketones in Different Columns and Temperatures: Application of Atom-Type-Based AI Topological Indices
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Sculpting the future: harnessing artificial intelligence for revolutionary drug discovery
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QSAR modeling of the MAO inhibitory activity of xanthones derivatives
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Quantitative structure–toxicity relationship study of lethal concentration to tadpole (Bufo vulgaris formosus) for organophosphorous pesticides
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Quantitative structure–property relationships for pesticides in biopartitioning micellar chromatography
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Artificial Intelligence in Pharmaceutical Sciences
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Atom-type-based AI topological descriptors for quantitative structure–retention index correlations of aldehydes and ketones
inferred← citeshttps://doi.org/10.1021/jp070660ropenalex-snapshot
Predicting Thermodynamic Properties with a Novel Semiempirical Topological Descriptor and Path Numbers
inferred← citeshttps://doi.org/10.1023/b:jcam.0000005764.26206.74openalex-snapshot
New atom-type-based AI topological indices: Application to QSPR studies of aldehydes and ketones
inferred← citeshttps://doi.org/10.1023/b:modi.0000047519.35591.b7openalex-snapshot
Topological descriptors in drug design and modeling studies
inferred← citeshttps://doi.org/10.1080/00319104.2012.708932openalex-snapshot
Application of QSPR for the prediction of gas to 1-octanol solvation enthalpy using support vector regression
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Update of PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence
inferred← citeshttps://doi.org/10.1142/s0219633604001021openalex-snapshot
TOPOLOGICAL MODEL FOR THE PREDICTION OF ALPHA-1 ADRENOCEPTOR ANTAGONISTIC ACTIVITY OF ARYLPIPERAZINES
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Modeling Quantitative Structure Property Relationships with a Semi-Empirical Topological Descriptor and Path Numbers
inferred← citeshttps://doi.org/10.3109/14756366.2010.549089openalex-snapshot
Topological, hydrophobicity, and other descriptors on α-glucosidase inhibition: a QSAR study on xanthone derivatives
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On Extended Topochemical Atom (ETA) Indices for QSPR Studies
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On Extended Topochemical Atom (ETA) Indices for QSPR Studies
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