Chemicals have improved our quality of life, but the resulting environmental pollution has
the potential to cause detrimental effects on humans and the environment. People and biota …

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 …

Despite an abundance of online databases providing access to chemical data, there is
increasing demand for high-quality, structure-curated, open data to meet the various needs …

Abstract The Endocrine Society's first Scientific Statement in 2009 provided a wake-up call to
the scientific community about how environmental endocrine-disrupting chemicals (EDCs) …

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

Drinking-water quality is a rising concern in the United States (US), emphasizing the need to
broadly assess exposures and potential health effects at the point-of-use. Drinking-water …

Mycotoxins are fungal metabolites commonly occurring in food, which pose a health risk to
the consumer. Maximum levels for major mycotoxins allowed in food have been established …

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 …

Quantitative structure–activity relationship modeling is one of the major computational tools
employed in medicinal chemistry. However, throughout its entire history it has drawn both …