The searching for agents for Alzheimer’s disease treatment via the system of self-consistent models
Sign Up to like & getrecommendations! Published in 2022 at "Toxicology Mechanisms and Methods"
DOI: 10.1080/15376516.2022.2053918
Abstract: Abstract Robust quantitative structure-activity relationships (QSARs) for hBACE-1 inhibitors (pIC50) for a large database (n = 1706) are established. New statistical criteria of the predictive potential of models are suggested and tested. These criteria are the index… read more here.
Keywords: consistent models; searching agents; agents alzheimer; system self ... See more keywords
Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics
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DOI: 10.3390/e24111683
Abstract: We present a constructive paradigm to derive thermodynamically consistent models coupling the bulk and surface dynamics hierarchically following the generalized Onsager principle. In the model, the bulk and surface thermodynamical variables are allowed to be… read more here.
Keywords: consistent models; surface dynamics; bulk surface; thermodynamically consistent ... See more keywords
The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity
Sign Up to like & getrecommendations! Published in 2023 at "Toxics"
DOI: 10.3390/toxics11050419
Abstract: Removing a drug-like substance that can cause drug-induced liver injury from the drug discovery process is a significant task for medicinal chemistry. In silico models can facilitate this process. Semi-correlation is an approach to building… read more here.
Keywords: drug induced; consistent models; system self; induced liver ... See more keywords