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Insilica and ProtoQSAR Join Forces to Transform Chemical Safety Assessments

In a significant step towards enhancing chemical safety evaluations, Insilica, a leader in chemical safety intelligence, has announced a collaboration with ProtoQSAR, a specialized computational chemistry company. This partnership integrates ProtoPRED®—a powerful suite of predictive models—into Insilica's ToxIndex platform, revolutionizing the way chemical risk assessments are conducted.

Advancements in Chemical Evaluation

The integration introduces over 60 predictive models derived from ProtoPRED across nine essential modules. These models are tailored to meet various critical regulatory requirements worldwide. With regulatory authorities increasingly emphasizing the need for new approach methodologies (NAM), the demand for efficient, reliable, and animal-free chemical evaluations has never been higher.

Key Modules of ProtoPRED

ProtoPRED encompasses specialized modules designed to facilitate various assessments:

• - ProtoICH: Addresses pharmaceutical impurity testing (ICH M7)
• - ProtoREACH: Covers international regulatory evaluations, notably the EU's REACH and K-REACH
• - ProtoADME: Provides insights into drug absorption and metabolism
• - ProtoPHYSCHEM: Profiles chemical and physical properties
• - ProtoTOX: Predicts organic and systemic toxicity
• - ProtoECO: Offers predictions related to ecotoxicity and environmental fate
• - ProtoED: Focuses on endocrine disruption predictions
• - ProtoNANO: Specializes in nanomaterial safety modeling
• - GénoITS: Integrates genotoxicity assessments

This modular approach facilitates targeted evaluations, ensuring compliance with diverse regulatory frameworks, thus aiding safety teams in making informed decisions faster than ever.

Seamless Integration for Better Security

The partnership employs a containerized deployment of ProtoPRED, allowing predictive models to operate seamlessly within the ToxIndex environment. This integration supports on-site deployments, ensuring proprietary chemical structures are secured behind the client's own firewall.

Tom Luechtefeld, PhD and Managing Director of Insilica, remarked, "By integrating ProtoPRED® directly into ToxIndex, we empower safety teams to assess candidate chemicals within minutes. Our clients can secure their proprietary structures while benefiting from predictive insights."

His counterpart at ProtoQSAR, Rafael Gozalbes, PhD, added, "This partnership extends our proven regulatory models directly into an integrated AI workflow, providing teams with the speed and confidence they need for critical submissions."

Flexible Licensing and Accessibility

The ProtoPRED® feature is available for ToxIndex's enterprise clients, offering annual licensing that allows unlimited predictions, with no additional user or query fees. This accessibility enables a broad range of clients across the pharmaceutical, cosmetic, and agrochemical sectors to utilize cutting-edge predictive modeling in their safety assessments.

About Insilica and ProtoQSAR

Founded in Rockville, MD, Insilica, Inc. specializes in computational toxicology and safety evaluation software, notably through its ToxIndex platform, which amalgamates hazard data and biokinetic models to provide non-animal based risk assessments. ProtoQSAR SL, based in Valencia, Spain, brings over 15 years of expertise in proprietary (Q)SAR modeling, focusing on chemoinformatics and predictive modeling for chemical safety applications.

Conclusion

As chemical safety becomes an increasingly critical issue, the cooperation between Insilica and ProtoQSAR marks a pivotal development in risk assessment methodologies. The integration of ProtoPRED into ToxIndex promises not only to speed up the evaluation process but also to enhance the credibility and efficacy of chemical safety assessments across various industries.