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Updated: Feb 12, 2026

A High-throughput Assay for the Prediction of Chemical Toxicity by Automated Phenotypic Profiling of Caenorhabditis elegans
Published on: March 14, 2019
Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand
Douglas E V Pires1, Lisa M Kaminskas2, David B Ascher3,4
1Centro de Pesquisas René Rachou, FIOCRUZ, Belo Horizonte, Brazil.
Abstract:
A crucial factor for the approval and success of any drug is how it behaves in the body. Many drugs, however, do not reach the market due to poor efficacy or unacceptable side effects. It is therefore important to take these into consideration early in the drug development process, both in the prioritization of potential hits, and optimization of lead compounds. In silico approaches offer a cost and time-effective approach to rapidly screen and optimize pharmacokinetic and toxicity properties. Here we demonstrate the use of the comprehensive analysis system pkCSM, to allow early identification of potential problems, prioritization of hits, and optimization of leads.
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