In silico endocrine disruptor screening
ToxNavigation launches a new in silico screening for endocrine disruption potential based on 156 models covering 18 receptors linked to the endocrine system. The models that we employ include statistical-based and rule-based (Q)SAR as well as predictions based on docking to the 3D structure of the receptor. A wide selection of commercial and open source models are applied. A free of cost feasibility study is conducted to ensure your compound is within the applicability domain of most models before accepting any contract. The screening can be used under the Guidance for the identification of endocrine disruptors (ECHA and EFSA) in the context of the Biocidal Products Regulation (BPR, Regulation (EU) 528/2012). For UVCB substances, ToxNavigation can enumerate justifiable representative structures of the UVCB by utilising cheminformatics before proceeding with the screening protocol.