Information-theoretic entropy and topological descriptor analysis of tin oxide (SnO₂) for structural and property prediction. [PDF]
Sci RepTang JH +7 more
europepmc +1 more source
FLUFF-BALL, a Fuzzy Superposition and QSAR Technique - Towards an Automated Computational Detection of Biologically Active Compounds Using Multivariate Methods (FLUFF-BALL, sumea superpositio ja QSAR-menetelmä - Tavoitteena bioaktiivisten molekyylien automaattinen tietokoneavusteinen tunnistaminen hyödyntäen monimuuttujamenetelmiä) [PDF]
Korhonen, Samuli-Petrus
core
A QSPR study of coronary artery disease drugs using eccentricity-based indices. [PDF]
Sci RepIqbal N +5 more
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Effect of Molecular Descriptors on the Development of Machine Learning Models for the Prediction of Yield Sooting Index. [PDF]
ACS OmegaWang QD +6 more
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Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices. [PDF]
ACS OmegaManuel M, Angamuthu P.
europepmc +1 more source
Quantitative structure-property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices. [PDF]
Front ChemJoy Prisca A, Jaganathan B.
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Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study. [PDF]
Sci RepBayati JHH +4 more
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Exploring QSPR in breast cancer drugs via entire neighborhood indices and regression models. [PDF]
Sci RepAltassan A +4 more
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Eccentric sombor index of graphs and its role in the structure-property relationship analysis of polycyclic aromatic compounds. [PDF]
Sci RepKhaji B, Hanif S, Arathi Bhat K.
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Multi criterion decision making analysis of hematologic cancer drugs via topological indices and physicochemical properties. [PDF]
Sci RepHuang L +5 more
europepmc +1 more source