Fusing AI/ML and computational chemistry for health innovation

CLOUDPHARM combines machine learning, computational chemistry and data-driven modelling to investigate interactions between chemical and biological systems. Its R&D expertise spans ligand–target interaction modelling (e.g., using molecular dynamics simulations, free-energy calculations, virtual screening), biological target assessment, as well as (nano)QSAR/QSTR modelling . Complementing these attributes, we offer capabilities in multi-source data integration and harmonisation, together with AI/ML methods to support the development of computational workflows and decision-support tools for life-science research.

Examples of our capabilities can be overviewed through our in-house resources, including CLOUDSCREEN, a ligand–target-based drug discovery and repurposing platform; G.AI.A, for predicting the aquatic ecotoxicity and bioaccumulation potential of small molecules and their metabolites; and CNatural, an integrated natural-products research database.

CLOUDPHARM is interested in contributing to collaborative R&D projects under the following upcoming Horizon Europe Cluster 1 calls:

• HORIZON-HLTH-2027-01-ENVHLTH-02: Integrating climate-related exposures into the human exposome and characterising its changes in response to climate change.

• HORIZON-HLTH-2027-01-DISEASE-08: Development of innovative antimicrobials against pathogens resistant to antimicrobials.

• HORIZON-HLTH-2027-01-DISEASE-05: Development of novel small molecule antiviral therapeutics for pathogens with epidemic potential.

• HORIZON-HLTH-2027-02-TOOL-01-two-stage: Development of predictive biomarkers of disease progression and treatment response by using AI methodologies for chronic non-communicable diseases

• HORIZON-HLTH-2027-01-IND-01: Development of cell-free protein synthesis platforms for discovery and/or production of biologicals.

We are interested in joining interdisciplinary consortia as an R&D and technology partner, contributing to defined research tasks or dedicated work packages. Our specific role would be shaped around the scientific objectives and needs of each consortium, allowing us to adapt our computational methods and resources to specialised research concepts. We welcome connections with universities, research institutes, hospitals, biotechnology and pharmaceutical companies, AI and data-science groups, and other organisations seeking complementary expertise in computational modelling and AI-driven life-science research.

EU Projects track record: CLOUDPHARM has participated as a beneficiary in successful European collaborative projects, including ENVIROMED, FRUITPRINT and NEGHTRA, as well as nationally funded R&D projects under the NSRF framework, including CLOUDSCREEN, OSTEOME and NEXTGFS.