Quantitative Structure-Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy-Atom-Free BODIPY Photosensitizers*. [PDF]
Chemistry, 2021 Heavy-atom-free sensitizers forming long-living triplet excited states via the spin-orbit charge transfer intersystem crossing (SOCT-ISC) process have recently attracted attention due to their potential to replace costly transition metal complexes in ...
Buglak AA +5 more
europepmc +3 more sources
Process-property-structure relationship of silicon and silicon-germanium oxynitrides.
, 2003 Process-property-structure relationship of silicon and silicon-germanium ...
Anindya. Dasgupta (7972202)
core +6 more sources
Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches
Pharmaceutics, 2022 The heterogeneity of the Caco-2 cell line and differences in experimental protocols for permeability assessment using this cell-based method have resulted in the high variability of Caco-2 permeability measurements.
Gabriela Falcón-Cano +2 more
doaj +1 more source
Journal of Materials Research and Technology, 2022 The relationship between solidification structure and cooling rate is critical for optimizing processing parameters to achieve desired mechanical property of additive manufactured parts.
Hui Xiao +6 more
doaj +1 more source
Quantitative Structure-Property Relationships (QSPR) to Predict Surface Tension and Electrical Conductivity of Ionic Liquid Propellants [PDF]
, 2023 Quantitative structure property relationships (QSPR) mine data sets of experimentally measured properties to predict different material properties through mathematical regression and machine learning.
Steven D., Chambreau +4 more
core +1 more source
A Quantitative Structure - Permittivity Relationship Study of a Series of Polymers [PDF]
, 2023 Dielectric constant is a value, that is widely applied in many scientific fields, and characterizes the degree of polarization of substances under the external electric field.
Yevhenii , Zhuravskyi +9 more
core +1 more source
The Eccentric-Distance Sum Polynomials of Graphs by Using Graph Products
Mathematics, 2022 The correlations between the physico-chemical properties of a chemical structure and its molecular structure-properties are used in quantitative structure-activity and property relationship studies (QSAR/QSPR) by using graph-theoretical analysis and ...
Alaa Altassan +2 more
doaj +1 more source
Study of quantitative structure-property relationship for density of ionic liquids based on Monte Carlo optimization [PDF]
MATEC Web of Conferences, 2022 Ionic liquids (ILs) have attracted increasing interests and applications due to its unique physiochemical properties. Density is a vital physical property of ILs.
Jia Xingang +3 more
doaj +1 more source
BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis. [PDF]
PLoS ONE, 2016 The reliability of quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) models is often difficult to assess due to the problems of accessing the tools and data used to build the models.
Marta Enciso +3 more
doaj +1 more source
Critical Properties and Acentric Factors of Pure Compounds Modelling Based on QSPR-SVM with Dragonfly Algorithm [PDF]
Kemija u Industriji, 2021 This work aimed to model the critical pressure, temperature, volume properties, and acentric factors of 6700 pure compounds based on five relevant descriptors and two thermodynamic properties.
Mohammed Moussaoui +4 more
doaj +1 more source