Introduction: In this work, we used several molecular modeling techniques to design new molecules for the treatment of non-small cell lung cancer (NSCLC). Methods: For this …
Multiple diseases are treated with carbohydrate-based medicinal products worldwide. Direct regioselective acylation of methyl α-D-mannopyranoside (MDMP) derivatives 2-6 afforded …
T Zhu, Y Yu, T Tao - Journal of Hazardous Materials, 2023 - Elsevier
The liposome/water partition coefficient (K lip/w) is a key parameter to evaluate the bioaccumulation potential of pollutants. Considering that it is difficult to determine the K lip/w …
V Kumar, S Das - International Journal of Quantum Chemistry, 2024 - Wiley Online Library
In chemical graph theory, several degree‐based topological indices are introduced and put forward in the development of quantitative structure‐property relationships …
Abstract 2D-QSPR is a Physico-chemical modeling method studied the quantitative structure- property relationship was implemented to study the phenomenon of released retention of …
As continuation of our research work on the development and prediction of retention/release property of odorant molecules in Water and pectin gels, in this research, on the one hand …
SH Bhatti, FW Khan, M Irfan… - … in Statistics-Simulation and …, 2023 - Taylor & Francis
Aiming at minimizing the ratio of error with respect to the response variable, the least squares ratio is a relatively new method for estimating the regression parameters. In the …
A Belhassan, S Chtita, T Lakhlifi… - Emerging Science …, 2019 - researchgate.net
In this study, we have established two-dimensional quantitative structure propriety relationships (2DQSPR) model, for a group of 78 molecules based on pyrazine, these …