Cheminformatics companies develop software and analytical tools for storing, searching and interpreting chemical and molecular data. These technologies support compound discovery, medicinal chemistry, materials research and pharmaceutical development.
This category includes companies working on:
Browse 31 UK cheminformatics companies below.
Integrated contract drug discovery from Cambridge and India
o2h is a contract research organisation operating an integrated drug discovery platform from Cambridge, UK, and Ahmedabad, India. Core services span medicinal chemistry, biology,…
AI-ready toxicity datasets for preclinical drug discovery
Biolligence is a biotechnology company developing AI-ready toxicity datasets and predictive tools for the drug discovery industry. The company combines deep learning algorithms…
Small molecule drug discovery platform focused on immuno-inflammation
C4X Discovery (C4XD) is a UK drug discovery company developing small molecule drug candidates using its proprietary computational and structural chemistry platform. It applies…
AI platform integrating biology, chemistry and automation for drug discovery
Recursion is a clinical-stage biotechnology company using AI and robotic wet-lab automation to industrialise small molecule drug discovery. Its platform integrates phenomics,…
AI-native virtual scientist platform for drug discovery
Kiin Bio is a software company developing an AI-native platform that integrates virtual scientist agents with laboratory databases, modelling software and analysis tools to…
Computational chemistry software and consulting for small molecule discovery
Cresset Biomolecular Discovery is a UK software and consulting company providing computational chemistry solutions for small molecule drug discovery and design. Its patented field…
Fragment and structure-based drug discovery services
Vernalis (R&D) is a Cambridge-based contract drug discovery organisation specialising in fragment-based and structure-based drug discovery. The company integrates structural…
AI-driven rescue and development of failed drug candidates
Ignota Labs is a biotechnology company that identifies, in-licenses and redevelops drug candidates that have failed clinical development due to toxicity. Using deep learning…
AI-powered computational platform for covalent drug discovery
Axiom Therapeutics is a UK biotech company developing a computational platform for covalent drug discovery. Its platform combines machine learning with molecular physics to…
Integrated drug discovery services for biotech and pharma
BioAscent is a Scotland-based integrated drug discovery contract research organisation providing science-led services to biotech, pharmaceutical, and academic customers. Operating…
Computational chemistry and data informatics for drug discovery
NovaData Solutions is a contract research organisation providing computational chemistry, molecular modelling, and data informatics services to pharmaceutical and biotechnology…
AI-powered molecular design software for medicinal chemists
deepmirror is a software company developing an AI-powered drug design application for medicinal chemists. Its no-code interface integrates generative molecular design with…