[HTML][HTML] Physiological variables in machine learning QSARs allow for both cross-chemical and cross-species predictions
A major challenge in ecological risk assessment is estimating chemical-induced effects
across taxa without species-specific testing. Where ecotoxicological data may be more …
across taxa without species-specific testing. Where ecotoxicological data may be more …
In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method …
Azo dyes are a group of chemical moieties joined by azo (-N= N-) group with potential
usefulness in different industrial applications. But these dyes are not devoid of hazardous …
usefulness in different industrial applications. But these dyes are not devoid of hazardous …
Chemometric modeling of the lowest observed effect level (LOEL) and no observed effect level (NOEL) for rat toxicity
Humans and other living species of the ecosystem are constantly exposed to a wide range
of chemicals of natural as well as synthetic origin. A multitude of compounds exert profound …
of chemicals of natural as well as synthetic origin. A multitude of compounds exert profound …
[HTML][HTML] Bio-QSARs 2.0: Unlocking a new level of predictive power for machine learning-based ecotoxicity predictions by exploiting chemical and biological …
Practical, legal, and ethical reasons necessitate the development of methods to replace
animal experiments. Computational techniques to acquire information that traditionally relied …
animal experiments. Computational techniques to acquire information that traditionally relied …
[HTML][HTML] Graph neural networks-enhanced relation prediction for ecotoxicology (GRAPE)
Exposure to toxic chemicals threatens species and ecosystems. This study introduces a
novel approach using Graph Neural Networks (GNNs) to integrate aquatic toxicity data …
novel approach using Graph Neural Networks (GNNs) to integrate aquatic toxicity data …
Advances of the QSAR approach as an alternative strategy in the environmental risk assessment
LM Saavedra, JCG Martinez, PR Duchowicz - QSAR in safety evaluation …, 2023 - Elsevier
Overall, the complexity, diversity, and a vast number of chemical entities within the
environment have been strongly associated with negative effects on human health and other …
environment have been strongly associated with negative effects on human health and other …
Chemometric modeling of toxicity of chemicals to tadpoles
This chapter highlights the importance of modeling of tadpole toxicity in identification of
potent environmental contaminants using in silico techniques, mainly quantitative structure …
potent environmental contaminants using in silico techniques, mainly quantitative structure …
Chemometric Modeling of Toxicity of Chemicals to Marine Bacteria
The current chapter highlights the important biological functions carried out by marine
bacteria. In this context, many symbiotic associations of bacteria with other marine …
bacteria. In this context, many symbiotic associations of bacteria with other marine …
Estudo in silico de diterpenos abietanos contra o fotoenvelhecimento
JP Moura - 2023 - repositorio.ufpb.br
Fotoenvelhecimento é o envelhecimento prematuro da pele ocasionado pela exposição
crônica à radiação ultravioleta. Atualmente a intervenção utilizada para a prevenção do …
crônica à radiação ultravioleta. Atualmente a intervenção utilizada para a prevenção do …