Quantum-Tox brings together a diverse consortium of research institutions and companies united by a shared belief: that better science, built collaboratively, leads to better outcomes for people, animals, and the planet.
Our team spans quantum chemistry, artificial intelligence, toxicology, regulatory science, and healthcare, with each partner contributing a unique piece of the puzzle.
Quantum-Tox is redefining computational toxicology by introducing quantum-mechanics-based electronic signatures and AI-driven prediction models. Our role is to ensure these breakthroughs translate into real-world impact—through IP management, market validation, and stakeholder engagement. This project doesn’t just promise better science; it aims to reduce animal testing, accelerate drug development, and provide regulators with more reliable tools. Being part of this mission means helping shape a safer, more ethical future for healthcare and environmental protection.
Vítor Crespo Venture Builder & also acting CEO of FastCompchem, PositiveBiz
I’m thrilled to be part of the QUANTUM-TOX team developing E-Signs. Until now, toxicity has been predicted from the outside in. With E-Signs, we finally model molecules from the inside out — directly from their quantum behaviour. This is the technological leap that makes safety predictable, not guessable. And this is just the beginning: E-Signs can be extended to countless applications across chemistry, biology, and materials.
Pedro LopesPhD in Computational Chemistry and specialist in quantum modeling and electronic structure theory, CSO and Founder, FastCompChem
Working on Quantum-Tox means using AI to turn advanced quantum models into practical tools that can reduce animal testing and give regulators better, faster evidence. It is more than a project; it’s a mission to bring clarity, interpretability, and scalability to computational toxicology. I’m proud to build an AI engine that turns quantum chemical insight into actionable toxicity predictions, accelerating safer drug discovery and environmental risk assessment across the chemical space. It’s rare to feel this much scientific and societal impact at once.
Beatriz CostaCTO & AI Lead, FastCompChem
Being part of Quantum-Tox has greatly contributed to my growth as a scientist. I get to work on cutting-edge toxicology models while learning from experts across computational chemistry. It’s inspiring to be part of a project that is both innovative and genuinely meaningful.
Ana Sofia AlmeidaPhD researcher in computational chemistry, FastCompChem
Having worked in pharma and having experienced firsthand the disappointment of entire stakeholder communities when a new promising drug fails, I feel especially fortunate to now work alongside exceptionally talented scientists who are determined to change that outcome.
Rita MeloHead of Market Access, Healthtech Portugal
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