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How is Derek Nexus Used?

Derek Nexus is the expert, knowledge-based software that gives you accurate toxicity predictions quickly. Early, accurate in silico toxicity tests using Derek Nexus is the quick, inexpensive way to identify potentially toxic chemicals, aiding your experts in rejecting unsuitable drug candidates.


Derek Nexus has various uses, including:

  • Bacterial Mutagenicity Screening
  • 2-Stage Processing 
  • Screening and Compound Profiling
  • Genotoxic Impurities (GTI) Assessment & Management



Bacterial Mutagenicity Screening

In silico screening using Derek Nexus provides an early indication of potential mutagenic compounds and therefore reduces late stage attrition due to unforeseen toxicity (Escobar et al. 2013).

2-Stage Processing (Figure 2)

Various Derek Nexus users operate a 2-stage process, with stage 1 providing a high level overview and stage 2 providing quality in depth. In practice this means that users can start with a simple prediction of potential toxicity, and if further information is required, users can interrogate the expert summary which contains additional details.

Screening & Compound Profiling

The transparency of predictions within Derek Nexus allows for data analysis, to prioritise lead series of compounds. Derek Nexus is designed with this workflow in mind, allowing:

  • Toxicity predictions for thousands of compounds for prioritisation for future development.
  • Detailed analysis of individual or multiple compounds facilitating decision making.

In each case, Derek Nexus provides the breadth and depth of information required.

Genotoxic Impurities (GTI) Assessment & Management

Derek Nexus is widely used to assess GTIs and is used commonly within the pharmaceutical industry (Dobo et al, 2012) for management of genotoxic impurities knowledge. Derek Nexus enables organisations to meet half of the requirements of ICH M7, and is supported further by:

  • Sarah Nexus; a statistical tool for prediction of toxicity
  • A vast amount of data held within the Vitic Nexus database

Scientists use the tools in conjunction to perform read-across studies allowing users to make decisions across all available data.





  • Dobo et al. (2012) ‘In silico methods combined with expert knowledge rule out mutagenic potential of pharmaceutical impurities: An industry survey’, Regulatory Toxicology and Pharmacology, vol. 62, no. 3, April, pp.449-455.


  • Escobar et al. (2013) ‘Bacterial mutagenicity screening in the pharmaceutical industry’, Mutation Research, vol. 752, no. 2, April-June, pp.99-118.


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