Prediction reliability of QSAR models: an overview of various validation tools
The reliability of any quantitative structure–activity relationship (QSAR) model depends on
multiple aspects such as the accuracy of the input dataset, selection of significant …
multiple aspects such as the accuracy of the input dataset, selection of significant …
Computational chemistry for the identification of lead compounds for radiotracer development
The use of computer-aided drug design (CADD) for the identification of lead compounds in
radiotracer development is steadily increasing. Traditional CADD methods, such as structure …
radiotracer development is steadily increasing. Traditional CADD methods, such as structure …
[HTML][HTML] In-silico screening and ADMET evaluation of therapeutic MAO-B inhibitors against Parkinson disease
MAOs are flavoenzymes that aid in the oxidative deamination of neurotransmitters such as
dopamine, serotonin, and epinephrine. MAO inhibitors are antidepressants that act by …
dopamine, serotonin, and epinephrine. MAO inhibitors are antidepressants that act by …
Computational modeling of PET imaging agents for vesicular acetylcholine transporter (VAChT) protein binding affinity: application of 2D-QSAR modeling and …
The neurotransmitter acetylcholine (ACh) plays a ubiquitous role in cognitive functions
including learning and memory with widespread innervation in the cortex, subcortical …
including learning and memory with widespread innervation in the cortex, subcortical …
Discovery and design of radiopharmaceuticals by in silico methods
M Salahinejad, DA Winkler… - Current …, 2022 - ingentaconnect.com
There has been impressive growth in the use of radiopharmaceuticals for therapy, selective
toxic payload delivery, and noninvasive diagnostic imaging of disease. The increasing …
toxic payload delivery, and noninvasive diagnostic imaging of disease. The increasing …
Applications of conceptual density functional theory in reference to quantitative structure–activity/property relationship
To predict the biological effects of chemical compounds based on mathematical and
statistical relationships, quantitative structure–activity relationship (QSAR) approach is used …
statistical relationships, quantitative structure–activity relationship (QSAR) approach is used …
[引用][C] In-silico Screening and ADMET evaluation of Therapeutic MAO-B Inhibitors against Parkinson Disease
M Abatyough - 2023 - Elsevier-Intelligent Pharmacy