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Molecular bonding profiles
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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/bip.360250705openalex-snapshot
Shape complementarity at the hemoglobin α1β1 subunit interface
inferredcites →https://doi.org/10.1002/jcc.540080426openalex-snapshot
The shape of molecular charge distributions: Group theory without symmetry
inferredcites →https://doi.org/10.1002/qua.560340718openalex-snapshot
On characterization of three-dimensional structures
inferredcites →https://doi.org/10.1007/bf01164840openalex-snapshot
In search of structural invariants
inferredcites →https://doi.org/10.1007/bf01169597openalex-snapshot
On the three-dimensional wiener number
inferredcites →https://doi.org/10.1007/bfb0111212openalex-snapshot
Topological indices for structure-activity correlations
inferredcites →https://doi.org/10.1016/0021-9991(77)90112-7openalex-snapshot
A novel approach to calculation of conformation: Distance geometry
inferredcites →https://doi.org/10.1016/0022-2860(93)87047-dopenalex-snapshot
In search for graph invariants of chemical interes
inferredcites →https://doi.org/10.1016/0097-8485(90)80051-3openalex-snapshot
Development of 3-dimensional molecular descriptors
inferredcites →https://doi.org/10.1016/0166-1280(91)85245-3openalex-snapshot
The algebraic modelling of chemical structures: On the development of three-dimensional molecular descriptors
inferredcites →https://doi.org/10.1016/0166-1280(93)87005-xopenalex-snapshot
Viewpoint 4 — Comparative structure-property studies: the connectivity basis
inferredcites →https://doi.org/10.1016/0270-0255(87)90594-xopenalex-snapshot
Topological indices: their nature, mutual relatedness, and applications
inferredcites →https://doi.org/10.1017/s0305004100025639openalex-snapshot
Notes on the secular determinant in molecular orbital theory
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/ci00010a011openalex-snapshot
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations
inferredcites →https://doi.org/10.1021/ci00016a005openalex-snapshot
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research
inferredcites →https://doi.org/10.1021/ci00025a031openalex-snapshot
On Characterization of Molecular Shapes
inferredcites →https://doi.org/10.1021/ci00039a006openalex-snapshot
A new system for the designation of chemical compounds. 1. Theoretical preliminaries and the coding of acyclic compounds
inferredcites →https://doi.org/10.1021/ci00058a004openalex-snapshot
Search for useful graph theoretical invariants of molecular structure
inferredcites →https://doi.org/10.1021/ja00221a015openalex-snapshot
Molecular modeling of the physical properties of alkanes
inferredcites →https://doi.org/10.1093/protein/5.1.69openalex-snapshot
A robust and efficient automated docking algorithm for molecular recognition
inferredcites →https://doi.org/10.5486/pmd.1964.11.1-4.15openalex-snapshot
Beziehungen zwischen den in einem Graphen enthaltenen Kreisen und seinem charakteristischen Polynom
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1999)75:6<1017::aid-qua6>3.0.co;2-copenalex-snapshot
On a characterization of the folding of proteins
inferred← citeshttps://doi.org/10.1002/9783527645121.ch3openalex-snapshot
Mold2Molecular Descriptors for QSAR
inferred← citeshttps://doi.org/10.1002/cem.3138openalex-snapshot
A novel method for measuring the structure sensitivity of molecular descriptors
inferred← citeshttps://doi.org/10.1002/minf.201300173openalex-snapshot
Discrete Derivatives for Atom‐Pairs as a Novel Graph‐Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark Databases
inferred← citeshttps://doi.org/10.1002/qua.25659openalex-snapshot
Comparative analysis of symmetric division deg index as potentially useful molecular descriptor
inferred← citeshttps://doi.org/10.1002/qua.27334openalex-snapshot
Comparative study of GQ and QG indices as potentially favorable molecular descriptors
inferred← citeshttps://doi.org/10.1007/0-306-46907-3_6openalex-snapshot
On Characterization of 3D Molecular Structure
inferred← citeshttps://doi.org/10.1007/978-1-0716-0150-1_32openalex-snapshot
alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints
inferred← citeshttps://doi.org/10.1007/978-3-030-49345-5_10openalex-snapshot
Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure
inferred← citeshttps://doi.org/10.1007/978-3-319-76351-4_26openalex-snapshot
Preparation of ATS Drugs 3D Molecular Structure for 3D Moment Invariants-Based Molecular Descriptors
inferred← citeshttps://doi.org/10.1007/s10878-026-01465-wopenalex-snapshot
Lanzhou index of trees with perfect matching
inferred← citeshttps://doi.org/10.1007/s10910-017-0775-3openalex-snapshot
ATS drugs molecular structure representation using refined 3D geometric moment invariants
inferred← citeshttps://doi.org/10.1007/s10910-024-01665-xopenalex-snapshot
On properties of the first inverse Nirmala index
inferred← citeshttps://doi.org/10.1007/s40203-026-00668-7openalex-snapshot
IGF-1 receptor ATP-competitive inhibitors for the treatment of Ewing sarcoma: a comprehensive virtual screening analysis for a dataset of molecules showing a wide range of chemical structures
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.14703-1openalex-snapshot
Chemometrics for QSAR Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00022-0openalex-snapshot
Chemical space and molecular descriptors for QSAR studies
inferred← citeshttps://doi.org/10.1016/b978-044452701-1.00007-7openalex-snapshot
Chemometrics in QSAR
inferred← citeshttps://doi.org/10.1016/j.cej.2015.04.082openalex-snapshot
Prediction of key structural features responsible for aromaticity of single-benzene ring pollutants and their photooxidative intermediates
inferred← citeshttps://doi.org/10.1016/j.fuel.2021.121908openalex-snapshot
Integrated machine learning-quantitative structure property relationship (ML-QSPR) and chemical kinetics for high throughput fuel screening toward internal combustion engine
inferred← citeshttps://doi.org/10.1016/s0009-2614(00)00158-5openalex-snapshot
Characterization of 3D molecular structure
inferred← citeshttps://doi.org/10.1016/s0009-2614(97)00447-8openalex-snapshot
Characterization of 3-D sequences of proteins
inferred← citeshttps://doi.org/10.1016/s1093-3263(02)00186-9openalex-snapshot
Novel map descriptors for characterization of toxic effects in proteomics maps
inferred← citeshttps://doi.org/10.1021/ci960174topenalex-snapshot
On Characterization of Chemical Structure
inferred← citeshttps://doi.org/10.1021/ci9901082openalex-snapshot
On the Similarity of DNA Primary Sequences
inferred← citeshttps://doi.org/10.1021/cr0780006openalex-snapshot
Some New Trends in Chemical Graph Theory
inferred← citeshttps://doi.org/10.1021/cr800198jopenalex-snapshot
Graphical Representation of Proteins
inferred← citeshttps://doi.org/10.1021/pr0100117openalex-snapshot
On Characterization of Dose Variations of 2-D Proteomics Maps by Matrix Invariants
inferred← citeshttps://doi.org/10.1080/10629369908039111openalex-snapshot
On Characterization of the CC Double Bond in Alkenes
inferred← citeshttps://doi.org/10.1088/2632-2153/abe347openalex-snapshot
Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules
inferred← citeshttps://doi.org/10.1246/bcsj.20140037openalex-snapshot
Structural and Physicochemical Interpretation of GT-STAF Information Theory-Based Indices
inferred← citeshttps://doi.org/10.18185/erzifbed.973326openalex-snapshot
4D-QSAR Analysis of Some New Pyrrole Derivatives Using Klopman Index Descriptor
inferred← citeshttps://doi.org/10.2174/0113862073367066250218103438openalex-snapshot
Modeling the Physico-Chemical Characteristics of Benzenes through the Application of Zagreb Rho Indices
inferred← citeshttps://doi.org/10.2174/1386207324666210705112232openalex-snapshot
Semiotic Thoughts on Biological Sequence Representations
inferred← citeshttps://doi.org/10.22147/juc/130301openalex-snapshot
A Significant Computation for Finding the PI index of Phenylene
inferred← citeshttps://doi.org/10.29007/lm11openalex-snapshot
Preparation of Translated, Scaled, and Rotated ATS Drugs 3D Molecular Structure for the Validation of 3D Moment Invariants-based Molecular Descriptors
inferred← citeshttps://doi.org/10.3390/polym17111522openalex-snapshot
Cheminformatics Approaches to the Analysis of Additives for Sustainable Polymeric Materials
inferred← citeshttps://doi.org/10.4236/am.2021.122007openalex-snapshot
On the Lanzhou Indices of Trees under Graph Decoration
inferred← citeshttps://doi.org/10.46793/match.92-1.165kopenalex-snapshot
On Structure Sensitivity and Chemical Applicability of Some Novel Degree-Based Topological Indices
inferred← citeshttps://doi.org/10.53570/jnt.1899903openalex-snapshot
On the Sensitivity of Graph Energy Types
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