Targeting Chemical Inputs and Optimising HTS for Agrochemical Discovery

Smith, Stephen C.; Delaney, John S.; Robinson, Michael; Rice, M. J.

doi:10.2174/138620705774575346

Cited by 13 publications

(3 citation statements)

References 33 publications

(44 reference statements)

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“…This was one of the early efforts to systemically use the HTS technique within toxicology studies. During the same period, there were many other HTS projects that were performed by other research groups. − Although these studies were not specifically designed for chemical toxicity, but for drug discovery and other areas, these HTS efforts also generated numerous bioassay data for large chemical libraries. For the early days of HTS development, several reviews are available. ,− …”

Section: High-throughput Screening In Chemical Toxicologymentioning

confidence: 99%

Big Data in Chemical Toxicity Research: The Use of High-Throughput Screening Assays To Identify Potential Toxicants

Zhu

Zhang

Kim

et al. 2014

Chem. Res. Toxicol.

134

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High-throughput screening (HTS) assays that measure the in vitro toxicity of environmental compounds have been widely applied as an alternative to in vivo animal tests of chemical toxicity. Current HTS studies provide the community with rich toxicology information that has the potential to be integrated into toxicity research. The available in vitro toxicity data is updated daily in structured formats (e.g., deposited into PubChem and other data-sharing web portals) or in an unstructured way (papers, laboratory reports, toxicity Web site updates, etc.). The information derived from the current toxicity data is so large and complex that it becomes difficult to process using available database management tools or traditional data processing applications. For this reason, it is necessary to develop a big data approach when conducting modern chemical toxicity research. In vitro data for a compound, obtained from meaningful bioassays, can be viewed as a response profile that gives detailed information about the compound’s ability to affect relevant biological proteins/receptors. This information is critical for the evaluation of complex bioactivities (e.g., animal toxicities) and grows rapidly as big data in toxicology communities. This review focuses mainly on the existing structured in vitro data (e.g., PubChem data sets) as response profiles for compounds of environmental interest (e.g., potential human/animal toxicants). Potential modeling and mining tools to use the current big data pool in chemical toxicity research are also described.

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Section: High-throughput Screening In Chemical Toxicologymentioning

confidence: 99%

Big Data in Chemical Toxicity Research: The Use of High-Throughput Screening Assays To Identify Potential Toxicants

Zhu

Zhang

Kim

et al. 2014

Chem. Res. Toxicol.

134

View full text Add to dashboard Cite

show abstract

“…Over the past two decades, HTS has developed into a primary tool for drug discovery based upon bioactivity screening of the proteome. , On a more limited scale, HTS has also been adapted to agrochemical discovery for the analysis of target species and model organisms. , Recently, HTS applications to toxicology have been expanding as a useful complement to traditional toxicology. , …”

Section: Toxicology Resources For Chemistsmentioning

confidence: 99%

“…33,34 On a more limited scale, HTS has also been adapted to agrochemical discovery for the analysis of target species and model organisms. 35,36 Recently, HTS applications to toxicology have been expanding as a useful complement to traditional toxicology. 37,38 The NIH Chemical Genomics Center (NCGC) is using industrial-scale HTS technologies to collect data that are useful for developing small-molecule chemical probes for basic biological research.…”

Section: High-throughput Screening (Hts)mentioning

confidence: 99%