Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a popular chemical information
resource that serves a wide range of use cases. In the past two years, a number of changes …

In this paper, molecular dynamics (MD) simulations were used to analyze the effects of
different additive combinations in microplastics (MPs) on the female reproductive toxicity of …

Opioid use disorder (OUD) is a chronic and relapsing condition that involves the continued
and compulsive use of opioids despite harmful consequences. The development of …

Modern nanotechnology has generated numerous datasets from in vitro and in vivo studies
on nanomaterials, with some available on nanoinformatics portals. However, these existing …

Traditional methodologies for assessing chemical toxicity are expensive and time-
consuming. Computational modeling approaches have emerged as low-cost alternatives …

Traditional experimental approaches to evaluate hepatotoxicity are expensive and time-
consuming. As an advanced framework of risk assessment, adverse outcome pathways …

Modern nanotechnology provides efficient and cost-effective nanomaterials (NMs). The
increasing usage of NMs brings great concerns regarding nanotoxicity in humans …

Aromatic amines, one of the most widely used low-cost antioxidants in rubbers, have been
regarded as pollutants with human health concerns. To overcome this problem, this study …

Opioid use disorder (OUD) has emerged as a significant global public health issue,
necessitating the discovery of new medications. In this study, we propose a deep generative …

Designer benzodiazepines (DBZDs) represent a serious health concern and are
increasingly reported in polydrug consumption-related fatalities. When new DBZDs are …