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Cheminformatics Companies in the UK

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:

  • Chemical structure databases and search tools
  • Molecular modelling and compound analysis
  • Virtual screening and computational chemistry
  • Structure-activity relationship analysis
  • Chemical data management and visualisation

Browse 31 UK cheminformatics companies below.

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Cheminformatics

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Showing 1–12 of 31
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Awen Oncology

Wales

Targeting developmentally-silent oncogenic drivers for cancer therapy

Awen Oncology is a Welsh oncology biotechnology company developing first-in-class therapeutics that target cancer-specific proteins derived from developmental genes that are…

Biotech
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LCC Technologies

Liverpool, North West England

Automated chiral chemistry platform for small molecule drug discovery

LCC Technologies is a drug discovery company providing biopharma partners with access to its platform, which combines a proprietary billion-scale virtual chiral library with…

CROBiotech
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The Cambridge Crystallographic Data Centre

Cambridge, East of England

Structural chemistry database and software for drug discovery

The Cambridge Crystallographic Data Centre (CCDC) is a non-profit organisation that curates and distributes the Cambridge Structural Database (CSD), the world's repository of…

Research OrganisationSoftware
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SOLVE Chemistry

London, Greater London

AI-driven automated flow chemistry platform for chemical process development

SOLVE Chemistry is a contract research and technology company providing AI-powered process development services to pharmaceutical, agrochemical, and specialty chemical…

CROSoftware
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Collaborative Drug Discovery

Cambridge, East of England

Cloud-based informatics platform for drug discovery data management

Collaborative Drug Discovery (CDD) is a software company providing a cloud-based informatics platform for drug discovery research. Its flagship product enables scientists to…

Software
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RxCelerate

Cambridge, East of England

Integrated outsourced drug discovery and development platform

RxCelerate is a contract research organisation providing fully integrated drug discovery and development services to pharmaceutical and biotech companies. Based at Babraham…

CRO
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Eleven Therapeutics

Cambridge, East of England

AI-driven combinatorial chemistry platform for next-generation RNA therapeutics

Eleven Therapeutics is a biotechnology company developing next-generation RNA therapeutics by combining combinatorial chemistry with artificial intelligence to map the vast…

BiopharmaBiotech
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Ternary Therapeutics

London, Greater London

AI platform engineering molecular glue drugs for undruggable targets

Ternary Therapeutics is a preclinical-stage biotechnology company developing an AI-driven platform for the rational design of molecular glue therapeutics. Molecular glues are…

Biotech
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Optibrium

Cambridge, East of England

In silico software and AI for small molecule drug discovery

Optibrium is a software company providing integrated computational platforms for small molecule design, optimisation and data analysis across preclinical drug discovery. Its tools…

Software
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Tres Alchemix

Oxford, South East England

AI and quantum-chemical platform for small-molecule drug design

Tres Alchemix is the UK subsidiary of a Japanese biotechnology company developing an AI-driven drug-design platform for small-molecule therapeutics. The platform integrates…

Software
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AI VIVO

Cambridge, East of England

Generative AI platform for whole-organism biological modelling

AI Vivo is an early-stage Cambridge biotechnology company developing a generative AI system that constructs multi-scale biological models linking molecular targets through tissue…

BiotechSoftware
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DaltonTx

London, Greater London

AI platform for pharma drug discovery workflows

DaltonTx is a technology company building adaptive AI-enabled discovery platforms for the pharmaceutical industry. Its disease- and modality-agnostic platform integrates into…

Software
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