Modeling kinetics of subcellular disposition of chemicals
S Balaz - Chemical Reviews, 2009 - ACS Publications
The effects of low-molecular-weight (< 1000 g/mol) chemicals on biosystems ranging from
membranes to organisms are of interest in medicinal chemistry, chemical biology …
membranes to organisms are of interest in medicinal chemistry, chemical biology …
Risk assessment of aromatic organic chemicals to T. pyriformis in environmental protection using regression-based QSTR and Read-Across algorithm
Hazardous aromatic compounds have a high probability of entering the surrounding
environment, posing a threat to humans and other habitats. It is, thus, necessary to estimate …
environment, posing a threat to humans and other habitats. It is, thus, necessary to estimate …
In silico prediction of the aniline derivatives toxicities to Tetrahymena pyriformis using chemometrics tools
M Asadollahi-Baboli - Toxicological & Environmental Chemistry, 2012 - Taylor & Francis
A hybrid variable selection procedure was proposed to derive the in-silico models enabling
the calculated chemical descriptors to be correlated to the toxicity of aniline derivatives on …
the calculated chemical descriptors to be correlated to the toxicity of aniline derivatives on …
QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP MODELLING OF TUMOR-ASSOCIATED CARBONIC ANHYDRASES IX SULPHOCOUMARINS INHIBITORS …
SD DIXIT, SH SINGH - Oxidation Communications, 2022 - search.ebscohost.com
We have attempted to build QSAR models on tumor-associated carbonic anhydrase, hCA IX
inhibitory activity. The quality of prediction is high enough (Se= 0. 2306, r²= 0.9027, F …
inhibitory activity. The quality of prediction is high enough (Se= 0. 2306, r²= 0.9027, F …
QSAR using momentum-space and trivial feature count descriptors–An application to Tetrahymena pyriformis toxicity
JHA Al-Fahemi, DL Cooper, NL Allan - Journal of Molecular Structure …, 2009 - Elsevier
Momentum-space descriptors are used to construct compact multiple linear regression
models for the toxicity to Tetrahymena pyriformis of two sets of molecules examined …
models for the toxicity to Tetrahymena pyriformis of two sets of molecules examined …
[PDF][PDF] Chemometric Modeling and in silico Design of Tumor-Associated Carbonic Anhydrases IX Sulfocoumarins Inhibitors
SD Dixit, S Singh - Dates, 2022 - scientificeminencegroup.com
We have attempted to build QSAR models on Tumor-Associated Carbonic Anhydrase, hCA
IX inhibitory activity. The quality of prediction is high enough (Se= 0. 2306, r2= 0. 9027, F …
IX inhibitory activity. The quality of prediction is high enough (Se= 0. 2306, r2= 0. 9027, F …