Precise assessment of toxicological effects remains a key bottleneck in biomedical and environmental health assessments. Traditional toxicology relies on macroscopic end points and manual image analysis, which limit sensitivity to structural damage a...
Cholestatic liver injury is a complex adversity leading to the toxic accumulation of.noxious bile salts in the liver and systemic circulation. Cholestasis can be instigated by a plethora of chemicals originating from several applicability domains. Cu...
The accurate prediction of chemical toxicity is a crucial research focus in chemistry, biotechnology, and national defense. The development of comprehensive datasets for chemical toxicity prediction remains limited due to security constraints and the...
The prediction of chemical toxicity is crucial for applications in drug discovery, environmental safety, and regulatory assessments. This study aims to evaluate the performance of advanced deep learning architectures, TabNet and TabTransformer, in co...
The zebrafish embryo is a valuable model for evaluating whole effluent toxicity (WET). However, the widely recognized acute toxicity indicator, based on International Organization of Standardization (ISO) methods, requires large numbers of embryos an...
Carbamazepine (CBZ) and its transformation products (TPs) often occur in aquatic environments in the form of mixtures, posing potential risks to ecosystems. However, establishing standardized protocols for synthesizing, isolating, and acquiring these...
Journal of chemical information and modeling
Feb 6, 2025
Chemical space networks (CSNs) are a new effective strategy for detecting latent chemical patterns irrespective of defined coordinate systems based on molecular descriptors and fingerprints. CSNs can be a new powerful option as a new approach method ...
Point of departure (POD) is a concept used in risk assessment to calculate the reference dose of exposure that is likely to have no appreciable risk on health. POD can be directly utilized from no observed adverse effect levels (NOAEL) which is the d...
Developmental toxicity (DevTox) tests evaluate the adverse effects of chemical exposures on an organism's development. Although current testing primarily relies on large mammalian models, the emergence of new approach methodologies (NAMs) is encourag...
Chemically induced neurotoxicity is a critical aspect of chemical safety assessment. Traditional and costly experimental methods call for the development of high-throughput virtual screening. However, the small datasets of neurotoxicity have limited ...
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