Results 91 to 100 of about 25,115,513 (232)
South African Journal of Chemical Engineering, 2020 In-silico QSPR and MD simulation methods were adopted to effectively design new lubricant anti-wear additive compounds as an alternative to zinc dialkyl dithiophosphate (ZDDP) which was reported to contribute to environmental pollution.
Usman Abdulfatai +3 more
doaj +1 more source
International Journal of Mathematics and Mathematical Sciences, Volume 2026, Issue 1, 2026.There are many physical properties of mononuclear aromatic hydrocarbons (MAHs) are primarily governed by their environmental behavior, which affects their stability and activity with themselves or with other biological and environmental systems. This study revealed the predictive potential of topological indices (TIs) based on vertex and edge degrees ...
Zinah F. Salih +4 more
wiley +1 more source
Journal of MathematicsIn this article, the first eccentricity connectivity coindex is introduced as ECI¯G=∑uv∉EGε2u+ε2v, in which εu denotes the eccentricity of the vertex u in the simple connected graph G.
Suha Wazzan, Gul Ozkan Kizilirmak
doaj +1 more source
Predicting purification process fit of monoclonal antibodies using machine learning
mAbsIn early-stage development of therapeutic monoclonal antibodies, assessment of the viability and ease of their purification typically requires extensive experimentation.
Andrew Maier +11 more
doaj +1 more source
On Wiener Index for Generalised Subdivision Neighbourhood Corona of Graphs
International Journal of Mathematics and Mathematical Sciences, Volume 2026, Issue 1, 2026.Graph operations such as the corona product play a significant role in analysing and constructing complex networks. In this work, we examine the Wiener index within the framework of generalised subdivision graph operations. We establish precise bounds for the Wiener index of the generalised subdivision vertex neighbourhood corona for graphs with ...
Vimal M. +3 more
wiley +1 more source
Bulletin of the Chemical Society of Ethiopia, 2009 A quantitative structure property relationship (QSPR) analysis of some organic compounds (imines or Schiff bases) is studied. The corrosion inhibition efficiencies of these imines have been studied by using AM1 (Austin model 1) Hamiltonian SCF-MO method ...
Iran Sheikhshoaie +1 more
doaj
Journal of Engineering, Volume 2026, Issue 1, 2026.Ionic liquids (ILs) have matured from laboratory curiosities to eco‐smart, molecularly tunable media underpinning sustainable chemical technologies. This review integrates a bibliometric mapping of the 2000–2025 literature with a critical synthesis of IL design principles, structure–property relationships, and application landscapes.
M. M. Nour +3 more
wiley +1 more source
Some hypothesis on commonality in liquidity: New evidence from the Chinese stock market [PDF]
In this paper, we examine four specific hypotheses relating to commonality in liquidity on the Chinese stock markets. These hypotheses are: (a) that market-wide liquidity determines liquidity of individual stocks; (b) that liquidity varies with firm size;
Paresh Kumar Narayan +2 more
core
In Silico Prediction of Physicochemical Properties [PDF]
, 2007 This report provides a critical review of computational models, and in particular(quantitative) structure-property relationship (QSPR) models, that are available for the prediction of physicochemical properties.
DEARDEN John, WORTH ANDREW
core
QSPR analysis of air-to-blood distribution of volatile organic compounds
Ecotoxicology and Environmental Safety, 2008 Quantitative structure property relationship (QSPR) models for the prediction of human blood:air partition coefficient (log K(blood)) of volatile organic compounds (VOCs) has been developed based on the linear heuristic method (HM) and non-linear radial basis function neural networks (RBFNNs).
F, Luan, H T, Liu, W P, Ma, B T, Fan
openaire +2 more sources