Insilica and ProtoQSAR Integrate ProtoPRED® into ToxIndex to Advance Chemical Safety Assessment

The partnership brings more than 60 ProtoPRED® predictive models to the 150+ computational tools in ToxIndex, supporting faster, more transparent and efficient in silico assessments.

ROCKVILLE, Md. and VALENCIA, Spain, Oct. 22, 2026 /PRNewswire/ -- Insilica, Inc., developer of the ToxIndex chemical safety intelligence platform, and ProtoQSAR SL, a computational chemistry company specializing in predictive toxicology, today announced a technology integration and distribution agreement.
The integration uses a containerized deployment of ProtoPRED®, enabling its predictive models to operate within the ToxIndex environment. For on-premises deployments, this approach is designed to support the protection of confidential chemical structures within customer-controlled infrastructure.

As regulatory authorities worldwide accelerate the adoption of New Approach Methodologies (NAMs), safety teams need fast, reliable, animal-free tools to evaluate chemical hazards.

The suite delivers more than 60 predictive models across nine specialized ProtoPRED® modules built for major regulatory requirements:

• ProtoICH: Pharmaceutical impurity testing (ICH M7)
• ProtoREACH: International regulatory assessments (e.g., EU REACH and K-REACH)
• ProtoADME: Drug absorption and metabolism profiling
• ProtoPHYSCHEM: Chemical and physical property profiling
• ProtoTOX: Organ and systemic toxicity predictions
• ProtoECO: Ecotoxicity and environmental fate predictions
• ProtoED: Endocrine disruption predictions
• ProtoNANO: Nanomaterial safety modeling
• GenoITS: Integrated genotoxicity assessment 

"By embedding ProtoPRED® directly into ToxIndex, we let safety teams evaluate candidate chemicals in minutes, and on-premises customers keep proprietary structures behind their own firewall," said Tom Luechtefeld, PhD, Chief Executive Officer of Insilica, Inc.

"Partnering with Insilica expands our regulatory-proven models directly into an integrated AI workflow, giving teams the speed and confidence they need for critical filings," said Rafael Gozalbes, PhD, Chief Executive Officer of ProtoQSAR SL.

ProtoPRED® is available now to ToxIndex enterprise customers through an annual company-wide license with unlimited predictions and no per-user or per-query fees.

About Insilica, Inc.

Insilica, Inc. (Rockville, MD) develops computational toxicology and safety assessment software. Its flagship platform, ToxIndex, organizes chemical hazard data and biokinetic models into verifiable, animal-free risk assessments.

About ProtoQSAR SL

ProtoQSAR SL (Valencia, Spain), with over 15 years of experience developing proprietary (Q)SAR models, specializes in chemoinformatics, predictive modeling, and artificial intelligence for chemical safety applications across pharmaceuticals, cosmetics, and agrochemicals.