Reproductive toxicity is one of the important issues in chemical safety. Traditional laboratory testing methods are costly and time-consuming with raised ethical issues. Only a few in silico models have been reported to predict human reproductive tox...
New approach methodologies (NAMs) offer information tailored to the intended application while reducing the use of animals. NAMs aim to develop quantitative structure-activity relationship (QSAR) and quantitive-Read-Across structure-activity relation...
Assessing chemical toxicity in materials like plastic packaging is critical to safeguarding public health. This study presents the development of classification-based machine learning models to predict the toxicity of chemicals associated with plasti...
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 ...
Drug registration requires risk assessment of new active pharmaceutical ingredients or excipients to ensure they are safe for human health and the environment. However, traditional risk assessment is expensive and relies heavily on animal testing. Ma...
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...
Methods in molecular biology (Clifton, N.J.)
39312175
Developmental toxicity is key human health endpoint, especially relevant for safeguarding maternal and child well-being. It is an object of increasing attention from international regulatory bodies such as the US EPA (US Environmental Protection Agen...
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
39914823
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 ...