Predicting Surface Tensions and Electrical Conductivities for High Molecular Weight Ionic Liquid Propellants Using Quantitative Structure-Property Relationships (QSPR) [PDF]
, 2023 Quantitative Structure-Property Relationships (QSPR) take in existing experimental property data and output predicted properties using statistical analysis and linear regressions.
Steven D., Chambreau +4 more
core +1 more source
Structure-Property-Performance Relationships of Dielectric Nanostructures for Mie Resonance-Enhanced Dye-Sensitization [PDF]
, 2021 Dye-sensitized photocatalytic (DSP) approach is considered as one of the promising approaches for developing visible light- and near-infrared light-responsive photocatalysts.
Sundaram Bhardwaj Ramakrishnan (9017405) +5 more
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Prediction of mammalian toxicity by quantitative structure-activity relationships - aliphatic amines and anilines [PDF]
, 2022 S.198-204 : Abb.,Tab.Quantitative Structure-Activity Relationships (QSARs) are derived to predict oral toxicity data of aliphatic amines and anilines for rats.
Klein, W., Jäckel, H.
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Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism [PDF]
, 2018 Recognizing substructures and their relations embedded in a molecular structure representation is a key process for structure-activity or structure-property relationship (SAR/SPR) studies.
Jun, Xu +3 more
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Evaluating Polymer Representations via Quantifying Structure-Property Relationships [PDF]
, 2019 Machine learning techniques are being applied in quantifying structure-property relationships for a wide variety of materials, where the properly representing materials plays key roles.
zhiyu, liu +4 more
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Mapping temperature-dependent energy-structure-property relationships for solid solutions of inorganic halide perovskites [PDF]
, 2020 Formation of solid solutions with complex compositions has been exhaustively adopted in materials research for improving the chemical and physical properties.
Yang, J ; https://orcid.org/, Jack, Yang
core +2 more sources
Revealing Structure-Property Relationships in Polybenzenoid Hydrocarbons with Interpretable Machine-Learning [PDF]
, 2022 The structure-property relationships of polybenzenoid hydrocarbons (PBHs) were investigated with interpretable machine learning, for which two new tools were developed and applied.
Zeev, Gross +4 more
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Symbolic regression for the interpretation of quantitative structure-property relationships
Artificial Intelligence in the Life Sciences, 2022 The interpretation of quantitative structure–activity or structure–property relationships is important in the field of chemoinformatics. Although multivariate linear regression models are typically interpretable, they do not generally have high ...
Katsushi Takaki, Tomoyuki Miyao
doaj +1 more source
Meso-design of heterogeneous dielectric material systems: Structure property relationships [PDF]
Journal of Advanced Dielectrics, 2014 Heterogeneous materials are inherently dielectric, and charge distribution and transport in such materials involves complex local fields and polarizations that are remarkably sensitive to morphology and the interaction of conduction and permittivity ...
Jeffrey Baker +5 more
doaj +1 more source
Structure–Property–Activity Relationships in Carbon Dots [PDF]
, 2022 Carbon dots (CDs) are one of the most versatile nanomaterials discovered in the 21st century. They possess many properties and thus hold potentials in diverse applications.
Yiqun Zhou +5 more
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