ProtoNANO

ProtoNANO is a computational application for the prediction of physicochemical and (eco)toxicological properties of nanomaterials by using proprietary QSAR models.

PHYSICOCHEMICAL QSAR MODELS

Partition coefficient (Metal)

requires core and surface SMILES

Zeta Potential (Metal, MOx and QDs)

requires core and surface SMILES

TOXICOLOGICAL QSAR MODELS

Cytotoxicity in E. coli (MOx)

requires core SMILES (as MOx molecular formula)

Cytotoxicity in human cells (QD)

requires core and shell SMILES (as ionic mixtures), exposure time, concentration and diameter

Cytotoxicity in tumoral cells (QD)

requires core and shell SMILES (as ionic mixtures), exposure time, concentration and diameter

ECOTOXICOLOGICAL QSAR MODELS

Daphnia magna (MOx)

(coming soon)

ProtoNANO is specially focused on QSAR models which can be applied to nanomaterials. Furthermore, it is focused in endpoints which are relevant to the REACH regulation, a European Union framework dedicated to improve the protection of human health and the environment from the risks that can be posed by new chemicals and substances (including nanomaterials), while enhancing the competitiveness of the EU chemicals industry.

REACH promotes alternative methods for the hazard assessment of substances in order to reduce the number of tests on animals. The requirements for registering a chemical substance are organized as annexes of the REACH regulation, specific requeriments regarding nanomaterials are being developed currently.

ProtoNANO was developed as a part of the NanoQSAR research project (https://protoqsar.com/nanoqsar/). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 896848