About the company
What does QSAR Lab do?
At QSAR Lab, we empower innovation with in silico science. Our team designs safe and functional chemicals and advanced (nano)materials using cutting-edge QSAR/QSPR modeling and AI. We help R&D teams and regulatory departments accelerate discoveries, reduce costs, and stay compliant.
Which industries do we work with?
We support clients across the chemical, pharmaceutical, and cosmetic industries, as well as regulators and research organizations. Wherever safety and functionality matter, QSAR Lab adds value.
What does “in silico” mean?
“In silico” literally means “in silicon” and refers to computer-based research. By predicting substance properties virtually, companies can cut down on time-consuming and expensive lab experiments.
Products and solutions
What is PredMat?
PredMat is our advanced AI/ML toolbox for designing and evaluating nanomaterials and next-generation materials. It helps you meet Safe and Sustainable by Design (SSbD) goals — from predictions to regulatory-ready reports.
What is PeptAIm used for?
PeptAIm brings the power of AI to peptide research. It allows scientists to explore structure–activity relationships and design peptides with biomedical and pharmaceutical potential.
What is PredSuite?
PredSuite is our online platform hosting a repository of ready-to-use QSAR/QSPR models. It provides instant predictions of chemical and material properties and risks — available anytime, anywhere.
What is NAMs.network?
NAMs.network is the largest open hub for New Approach Methodologies (NAMs). It offers regulatory resources, documentation, and a searchable database of providers (testing laboratories) — making it a go-to resource for modern risk assessment.
Methods and science
What is QSAR/QSPR?
QSAR (Quantitative Structure–Activity Relationship) and QSPR (Quantitative Structure–Property Relationship) are proven scientific methods for predicting how a substance will behave, based solely on its chemical structure.
How do we use AI/ML?
We integrate machine learning and neural networks into predictive modeling. This makes it possible to design safer, smarter chemicals and materials aligned with today’s strict regulatory standards.
What is SSbD?
Safe and Sustainable by Design (SSbD) is an EU initiative to ensure that innovation is safe for people and the planet. At QSAR Lab, we help companies embed SSbD principles directly into the design phase.
Regulations and data security
How do we support compliance with REACH and OECD guidelines?
Our models and reports follow OECD standards and are aligned with REACH practices, giving regulators confidence and making your submissions smoother.
Are our models validated?
Yes. Every QSAR Lab model is rigorously validated according to OECD requirements — ensuring credibility and acceptance in regulatory workflows.
How do we protect client data?
We apply a robust three-level data security policy (basic, confidential, strictly confidential) supported by access control, encryption, and strict procedures — so your data stays safe at every step.
Services and collaboration
Do we offer tailored solutions?
Absolutely. We develop custom predictive models and pipelines tailored to your unique R&D challenges and compliance needs.
How can I start working with us?
It’s simple: reach out to us, share your goals and data, and we’ll design a collaboration plan — including project scope, timeline, and the best models to deliver results.
What data are needed for QSAR/QSPR models?
All we need are chemical structures (e.g., SMILES) and reliable experimental data. The better the quality, the more accurate and valuable the predictions.
Technical and implementation aspects
Do we integrate with client tools?
Yes — we provide API access, report exports, and custom data formats, so our solutions fit seamlessly into your workflows.
How do we report results?
We deliver clear, decision-ready outputs: concise scorecards for quick insights and detailed methodological reports for regulatory or R&D teams.
