As of May 2026, there are 16 SaaS companies in Drug Discovery Software. They have combined revenues of $211.2M and employ 912 people. They have raised $709.9M and serve 55.2K customers combined.
Drug Discovery Software encompasses a range of tools and applications that aid in the development of new pharmaceuticals. These solutions streamline the research process by enabling researchers to design, analyze, and optimize drug candidates more efficiently. Common use cases include target identification, lead optimization, and preclinical trials, wherein software facilitates simulations and predictions that guide decision-making during the drug discovery pipeline. Typically, drug discovery software features include molecular modeling, compound library management, virtual screening, and data analysis capabilities. Users of this software include pharmaceutical companies, biotech firms, and academic institutions focused on drug development. By automating complex processes, these tools help researchers reduce costs and timeframes associated with bringing new medicines to market.
Sorting: Highest -> Lowest
Showing 10 of 16 companies ranked by annual revenue.
San Francisco, California, United States
insitro is a data-driven drug discovery and development company that leverages machine learning and high-throughput biology to transform the way medicines are created to help patients.
Berlin, Berlin, Germany
Aignostics is an AI-powered precision diagnostics company that focuses on pathology to assist with drug development and clinical research. It specializes in transforming drug development and improving patient outcomes with AI that delivers novel insights for precision medicine.
Glasgow, Scotland, United Kingdom
Chemify is a chemistry and chemical discovery digitization platform. It develops a digitization platform to run chemical code for drug discovery, chemical synthesis, and materials discovery.
San Francisco, California, United States
AI-powered drug discovery platform for rapid molecule screening and testing, from target identification to lab validation. Automating biotech R&D. About Optic Optic started as an AI research team developing high-performance similarity search algorithms. Today our proprietary AI-technology is powering products in multiple industries from blockchain to biotech.
London, England, United Kingdom
Developer of a cloud software platform designed to automate and improve the success rate of biological research and development. The company's platform uses artificial intelligence for designing and simulating biological systems, as well as methods of collating, structuring and analyzing experimental data, enabling clients to transfer biological designs into real 'wet lab' experiments via logistics simulation and execution seamlessly.
Palo Alto, California, United States
Provider of a search engine for life science experimentation designed to offer researchers billions of data-driven product recommendations and industry ratings. The company's search engine taps into the latest advances in artificial intelligence, including natural language processing and machine learning, to mine and structure hundreds of millions of pages of complex and unstructured scientific papers- providing an unprecedented amount of summarized experimentation knowledge, and enabling researchers to speed up drug discovery and the the rate of success in finding treatments and cures for diseases.
Paris, France
Developer of life sciences research software and applications. The company's software-as-a-service, plate based assay data acquisition platform facilitates discovery of of innovative molecules, conceives high content screening experiments analyses, organizes and stores experimental results from a large variety of sources and provides primary and secondary screening of results and designs dose response screening runs, enabling pharmaceutical and cosmetics firms to manage and visualize data and speed up the decision-making processes.
San Francisco, California, United States
Developer of disease-specific simulation models designed to replace animal drug testing by using artificial intelligence. The company's models increase human life expectancy through intelligence driven biosystem simulations to truly personalize patient treatment, enabling pharmaceutical scientists to improve the accuracy and efficiency of drug development and make personalized health care a reality.
San Diego, California, United States
Based in the Genomics Capital of San Diego, ROSALIND is the first-ever genomics discovery and collaboration platform specifically designed for scientists and biologists. With ROSALIND, anyone can explore and interpret multi-omic datasets, without any prior bioinformatics skills. Named in honor of pioneering researcher Rosalind Franklin, who made a major contribution to the discovery of the double-helix structure of DNA with her famous photograph 51, the ROSALIND platform aims to simplify the practice of genomic data interpretation, so that biologists, researchers and drug developers can harness the potential of genomic information while reducing costs and increasing productivity.
- Offers tools for molecular modeling and simulations - Supports data analysis related to drug interactions and efficacy - Aids in target identification and validation in the drug discovery process - Includes features for library management of drug compounds - Must facilitate preclinical trial planning and analysis - Not just general research software; must specifically cater to drug discovery workflows
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