Transforming Science with AI & Machine Learning

Data - Driven Solutions

Through the combination of industry-recognized expertise, state-of-the-art software, and proprietary computing infrastructure, NovaMechanics’ advanced in silico capabilities in molecular design and simulation—powered by cutting-edge Machine Learning (ML) and Safe and Sustainable by Design (SSbD) principles—provide the most effective path to innovation in drug discovery and materials science.

Antreas Afantitis

Managing Director

Harnessing AI & Computational Science for Breakthrough Innovation

Advancing Science Through AI & Computational Innovation

As a research-driven company, NovaMechanics actively participates in large-scale European and national R&D projects, applying AI-powered cheminformatics, nanoinformatics, and bioinformatics to solve challenges in personalized medicine, nanotoxicology, and materials informatics. With a 30-member multidisciplinary team, including 17 PhD holders, NovaMechanics combines deep scientific expertise with state-of-the-art computational infrastructure to develop validated, industry-ready solutions.

Coordinators of Horizon 2020 projects such as NanoSolveIT and CompSafeNano, leading the development of AI-enhanced nanoinformatics models, toxicity prediction frameworks, and risk assessment methodologies.

Developers of Isalos Analytics Platform, an integrated AI/ML ecosystem for predictive analytics in drug discovery, materials design, and regulatory science.

100+ peer-reviewed publications, with NovaMechanics researchers listed among the World’s Top 2% Scientists (Stanford University List, 2023 & 2024).

Pioneering AI-driven modeling, automation, and Safe and Sustainable by Design (SSbD) principles, accelerating innovation while reducing experimental costs and risks.

Empowering Innovation Through AI, Machine Learning, and Computational Science

NovaMechanics (NovaM) is a pioneering SME with headquarters in Nicosia, Cyprus, and operations in Athens, Greece, specializing in data-driven scientific solutions at the intersection of cheminformatics, bioinformatics, nanoinformatics, artificial intelligence (AI), machine learning (ML), and computational modeling. With over 15 years of expertise, NovaM develops cutting-edge software tools, predictive models, and cloud-based platforms, transforming drug discovery, materials science, and risk assessment through computational innovation.

At NovaMechanics, we integrate AI, ML, and advanced computational techniques to extract meaningful insights from complex datasets, enabling high-precision modeling, data-driven decision-making, and in silico experimentation. Our work spans multiple scientific domains, from predictive toxicology and molecular design to safe and sustainable material development, leveraging big data analytics, automation, and multiscale simulations to streamline research and innovation.

Vision

To lead the AI-driven transformation of life sciences, nanotechnology, and materials research by developing intelligent, data-driven solutions that optimise efficiency, reduce costs, and enhance predictive accuracy.

Mission

To create and deploy cutting-edge AI/ML-powered predictive models, cloud-based platforms, and advanced cheminformatics & nanoinformatics solutions that empower researchers, industries, and regulatory agencies with high-precision computational tools for data-driven decision-making.

Achievement

At NovaMechanics, we drive scientific excellence and technological innovation through the integration of AI, machine learning, and computational modeling. Our expertise enables us to transform data-driven research into practical solutions, fostering advancements in drug discovery, materials science, and sustainable design.