5,6‐Dihydrotetrazolo[1,5‐c]quinazolines: Toxicity prediction, synthesis, antimicrobial activity, molecular docking, and perspectives
Sign Up to like & getrecommendations! Published in 2023 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202300029
Abstract: Antimicrobial resistance is a never‐ending challenge, which should be considered seriously, especially when using unprescribed “over‐the‐counter” drugs. The synthesis and investigation of novel biologically active substances is among the directions to overcome this problem. Hence,… read more here.
Keywords: quinazolines toxicity; prediction synthesis; toxicity prediction; dihydrotetrazolo quinazolines ... See more keywords
Artificial Intelligence in Drug Toxicity Prediction: Recent Advances, Challenges, and Future Perspectives
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00200
Abstract: Toxicity prediction is a critical step in the drug discovery process that helps identify and prioritize compounds with the greatest potential for safe and effective use in humans, while also reducing the risk of costly… read more here.
Keywords: artificial intelligence; toxicity prediction; toxicity; drug toxicity ... See more keywords
toxFlow: A Web-Based Application for Read-Across Toxicity Prediction Using Omics and Physicochemical Data
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DOI: 10.1021/acs.jcim.7b00160
Abstract: We present toxFlow, a web application developed for enrichment analysis of omics data coupled with read-across toxicity prediction. A sequential analysis workflow is suggested where users can filter omics data using enrichment scores and incorporate… read more here.
Keywords: toxflow web; across toxicity; toxicity; read across ... See more keywords
Machine Learning Toxicity Prediction: Latest Advances by Toxicity End Point
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DOI: 10.1021/acsomega.2c05693
Abstract: Machine learning (ML) models to predict the toxicity of small molecules have garnered great attention and have become widely used in recent years. Computational toxicity prediction is particularly advantageous in the early stages of drug… read more here.
Keywords: end point; toxicity prediction; machine learning; toxicity ... See more keywords
Toxicity prediction: An application of alternative testing and computational toxicology in contaminated groundwater sites in Taiwan.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of environmental management"
DOI: 10.2139/ssrn.4261783
Abstract: Groundwater contamination remains a global threat due to its toxic effects to humans and the environment. The remediation of contaminated groundwater sites can be costly, thus, identifying the priority areas of concern is important to… read more here.
Keywords: toxicology; toxicity prediction; groundwater; groundwater sites ... See more keywords
Toxicity Rank Order (TRO) As a New Approach for Toxicity Prediction by QSAR Models
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Environmental Research and Public Health"
DOI: 10.3390/ijerph20010701
Abstract: Quantitative Structure–Activity Relationship (QSAR) models are commonly used for risk assessment of emerging contaminants. The objective of this study was to use a toxicity rank order (TRO) as an integrating parameter to improve the toxicity… read more here.
Keywords: qsar models; toxicity prediction; toxicity; tro ... See more keywords
Complex versus simple models: ion-channel cardiac toxicity prediction
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DOI: 10.7717/peerj.4352
Abstract: There is growing interest in applying detailed mathematical models of the heart for ion-channel related cardiac toxicity prediction. However, a debate as to whether such complex models are required exists. Here an assessment in the… read more here.
Keywords: complex versus; cardiac toxicity; ion channel; simple models ... See more keywords