AI-powered Drug Discovery Startups
39 companies tagged AI-powered Drug Discovery, with their investors and founders.
Parallel Bio develops human immune organoids and computational tools to predict drug efficacy across diverse patient populations, replacing animal testing in drug discovery. The company aims to accelerate pharmaceutical development and reduce clinical trial failure rates through human-first biological prediction models.
10 investors
Shiru uses machine learning to discover and design proteins for sustainable food production. The company applies computational methods to develop plant-based protein ingredients.
10 investors
Adaptyv Bio develops technologies for protein engineering that enable the design and testing of new proteins for applications in medicine, industrial enzymes, and functional materials. The company serves protein engineers and researchers developing therapeutic and industrial biological products.
9 investors
Qvin offers a healthcare service that uses menstrual blood as a non-invasive source for laboratory blood testing, letting women monitor and screen for health conditions. The company develops a collection device for this purpose, focused on women's health and closing the gender data gap.
9 investors
An AI-native biotech company that combines multimodal data, AI models, and high-throughput lab automation to discover small and large molecule therapeutics. Its infrastructure supports AI-enabled drug discovery across multiple therapeutic modalities.
8 investors
Ångström AI develops AI-powered physics simulations for pharmaceutical drug discovery, computing molecular properties like solubility, lipophilicity, and crystal structure stability to replace traditional lab experiments. The platform uses machine learning interatomic potentials and free energy calculations to accelerate and derisk solid form development for pharma companies.
8 investors
Nabla is a drug development company that applies design discipline and scientific rigor to the development of new medicines. The company focuses on making drug development more systematic and iterative, serving the pharmaceutical and biotech industry.
8 investors
Altay Therapeutics develops small molecule inhibitors targeting transcription factors to treat serious diseases including facioscapulohumeral muscular dystrophy and cancer. The company's pipeline includes oral drug candidates designed as first- or best-in-class therapeutics for oncology and inflammatory conditions.
7 investors
Menten AI develops generative AI software to design cyclic peptide therapeutics for drug targets beyond the reach of conventional small molecules and biologics. The company partners with major pharmaceutical firms to accelerate preclinical drug discovery.
7 investors
Numerion Labs develops machine learning algorithms for drug discovery, combining computational chemistry, structural biology, and medicinal chemistry. It builds AI-driven platforms aimed at accelerating the identification of new medicines.
7 investors
Persephone Biosciences develops live biotherapeutic products that modulate the metabolism of gut microbes for disease prevention and treatment, with a focus on cancer. It applies systems and synthetic biology to study the gut microbiome.
7 investors
Reverie Labs built machine learning software for pharmaceutical companies and later developed its own drug pipeline using those ML tools. The company was acquired by Ginkgo in February 2024.
7 investors
SFA Therapeutics develops oral therapeutic candidates based on deuterated short-chain fatty acids to treat autoimmune and oncologic diseases. The company's lead program, SFA-002, is in Phase 2 development for plaque psoriasis, with additional pipeline assets targeting pancreatic cancer, liver cancer, rheumatoid arthritis, and inflammatory bowel disease.
7 investors
Postera uses artificial intelligence and computational chemistry to accelerate drug discovery for pharmaceutical companies. The platform combines machine learning, medicinal chemistry, and software engineering to improve the drug development process.
6 investors
Convexia provides AI-powered drug discovery and evaluation software that scans global sources for overlooked drug assets and runs deep in silico simulations across 50+ models to assess binding, toxicity, pharmacokinetics, and immunogenicity. The platform combines AI agents with expert human review to accelerate drug asset evaluation for biotech companies, pharma firms, and venture investors.
5 investors
Output builds generative AI models trained on biological data to discover and develop medicines. The company focuses on applying large biological models to improve diagnosis, treatment, and disease prevention.
5 investors
Tamarind provides a computational platform for protein and molecular engineering, offering AI and physics-based tools to design antibodies, peptides, enzymes, and small molecules. The platform integrates state-of-the-art published tools like AlphaFold and RFdiffusion through a user-friendly interface for life sciences companies.
5 investors
CellChorus develops a visual AI platform called TIMING that performs high-throughput dynamic analysis of single cells, measuring cell activation, killing, and movement over time for biopharmaceutical research. The company serves biopharmaceutical companies and therapy developers seeking to understand cellular function and phenotype.
4 investors
Diffuse designs proteins using AI models trained on experimental data collected through proprietary assays and software, delivering validated AI-designed proteins to partners.
4 investors
Harmonic Discovery applies medicinal chemistry, cheminformatics, data science and machine learning expertise to advance drug discovery. The company is supported by investors at the intersection of technology, biology and medicine.
4 investors
Known Medicine develops a predictive engine using AI and patient datasets to identify optimal cancer treatments for individual patients. The company serves oncologists and cancer patients through computational analysis of biomaterials and drug-discovery data.
4 investors
Matrubials develops antimicrobial peptides derived from milk to create novel therapeutics for bacterial infections, starting with bacterial vaginosis. The company uses AI-enabled technology to identify and validate bioactive molecules for infectious disease treatments.
4 investors
WonderTx is an AI-native biotech that develops extrapolative AI models to discover oral drug molecules for targets with validated human biology that currently lack a viable pill-based treatment. The company aims to convert injectable therapies into pills and works on both its own and partner drug discovery programs.
4 investors
b12 develops AI agents and lab automation software to help chemists plan, optimize, and execute the synthesis of complex molecules. The platform combines chemistry expertise with agentic AI systems to streamline organic synthesis workflows.
3 investors























