Prediction of chemical bioactivity and physical properties has been one of the most
important applications of statistical and more recently, machine learning and artificial …

Robust and efficient processes are needed to establish scientific confidence in new
approach methodologies (NAMs) if they are to be considered for regulatory applications …

The rapid increase in both the quantity and complexity of data that are being generated daily
in the field of environmental science and engineering (ESE) demands accompanied …

Since 2009, the Tox21 project has screened∼ 8500 chemicals in more than 70 high-
throughput assays, generating upward of 100 million data points, with all data publicly …

Advances in the biological sciences have led to an ongoing paradigm shift in toxicity testing
based on expanded application of high-throughput in vitro screening and in silico methods …

The collection of chemical structure information and associated experimental data for
quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by …

The US Environmental Protection Agency's (EPA) ToxCast program is testing a large library
of Agency-relevant chemicals using in vitro high-throughput screening (HTS) approaches to …

Abstract The US Environmental Protection Agency (EPA) is faced with the challenge of
efficiently and credibly evaluating chemical safety often with limited or no available toxicity …

Background: Humans are exposed to tens of thousands of chemical substances that need to
be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for …

There is a growing public concern about the lack of reproducibility of experimental data
published in peer-reviewed scientific literature. Herein, we review the most recent alerts …