Toxicity reflects the second most reason for failures in the drug discovery and development process. With ToxPHACTS the Phenaris team integrates their expertise in computational toxicology and semantic data integration to offer an expert system which helps to foresee possible toxicity of new development candidates. By combining highly innovative similarity searching with the power of semantically integrated life science data, ToxPHACTS brings toxicological read across to the desktop of every toxicologist.
The Phenaris Team is delighted to announce that version 2.0 of ToxPHACTS has been recently released. Besides improvements in target-toxicity associations and chemical structure representation, it offers conformal prediction models for a set of off-targets.
New Features and Enhancements
- Target-toxicity associations: Constantly increased list of proteins associated with adverse drug events.
- New standardized representation of chemical structures: The standardized chemical structure representation using RDKit (Version 2020.03.2) allows fast and simple comparison of structures in order to identify off-target SAR in your hit list.
- Conformal prediction models: This major enhancement allows a fast assessment of all compounds similar to your query structure using robust conformal prediction models.
ToxPHACTS Webinar Recording
On March 9th, 2021 the Phenaris Team held a webinar showing an online demo of the tool and it’s new features and enhancements. The interest was high and participants had the possiblity to ask questions and to discuss their use cases with the Phenaris team in detail. You can watch the recording here.
Furthermore, you are invited to check out the ToxPHACTS Quick Guide.
Phenaris offers flexible pricing according to your needs and type of institution, ranging from pay per use up to annual site licenses. For further information or if you would like to inquire a customized package please contact them at office(at)phenaris.com.
Phenaris is a spin-off from the Pharmacoinformatics Research Group at the University of Vienna, where they are engaged in all aspects of molecular modeling with a focus on drug transporter, data mining, and in silico toxicology. At Phenaris they transform their 20+ years experience in chem-informatics and data science into tangible products to assist toxicologists and medicinal chemists in their daily work.
They constantly challenge the status quo in computational drug design and in silico toxicology. Using cutting edge technologies Phenaris provides data, models, and decision support in all aspects of in silico toxicology. They are working on multiple solutions to provide data integration, model development, and decision support.
The main motivation for Phenaris is the excitement about translating their scientific research ideas to real products, which assist the development of new safe medicines and lead to a considerable reduction of animal experiments.
Anika Dangl, MA
Phenaris Softwareentwicklungs- und Consulting GmbH
Maria-Jacobi-Gasse 1, 1030 Vienna