Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for
Predictive Toxicology | Chemical Reviews ACS ACS Publications C&EN CAS Find my …

The applied use of in silico technologies (aka computational toxicology, in silico toxicology,
computer-assisted tox, e-tox, i-drug discovery, predictive ADME, etc.) for predicting …

Median lethal death, LD50, is a general indicator of compound acute oral toxicity (AOT).
Various in silico methods were developed for AOT prediction to reduce costs and time. In …

Abstract Machine learning (ML) methods provide a new opportunity to build quantitative
structure-activity relationship (QSAR) models for predicting chemicals' toxicity based on …

In order to minimize expensive drug failures, is essential to determine potential activity,
toxicity and ADME problems as early as possible. In view of the large libraries of compounds …

Carcinogenicity of chemicals is a highly concerning toxicological endpoint closely
associated with human health. To implement the 3R principles of animal studies in the …

Variable selection is a procedure used to select the most important features to obtain as
much information as possible from a reduced amount of features. The selection stage is …

Abstract The TTC (Threshold of Toxicological Concern; set at 1.5 μg/day for
pharmaceuticals) defines an acceptable patient intake for any unstudied chemical posing a …

Room-temperature ionic liquids (ILs) are considered green chemicals that may replace
volatile organic solvents currently used by industry. However, toxicological effects of ILs are …

The discovery of new and more potent anti-cancer agents constitutes one of the most active
fields of research in chemotherapy. Colorectal cancer (CRC) is one of the most studied …