BioMed Nexus Industry Directory

AI Drug Discovery
Companies

The definitive directory of AI-native and computational drug discovery companies, spanning generative chemistry, computational biology, target identification, protein design, clinical AI, drug repurposing, and phenomics and high-content screening. Curated for biotech investors, pharma partners scouting AI platforms, and scientists tracking machine learning in drug development.

161
Companies Listed
7
Categories
$62B+
Cumulative Funding
100,000 Directory Views
65,000+ Newsletter Subscribers
1.1M Monthly Impressions
Distributed via the BioMed Nexus Daily Brief
Directory AI Drug Discovery Companies

BioMed Nexus tracks 161 AI drug discovery companies across 7 categories: generative chemistry, computational biology, target identification, protein design, clinical AI, drug repurposing, and phenomics & screening. The directory covers the leading AI-native drug discovery companies, including Recursion, Insilico Medicine, Schrödinger, Relay Therapeutics, Atomwise and Absci, alongside emerging startups. Last updated July 2026

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All Listed Companies / 161 companies

Company Database
Metanovas BiotechUpgrade listing →
Benevolent AIUpgrade listing →
Generate BiomedicinesUpgrade listing →
Charm TherapeuticsUpgrade listing →
Aria PharmaceuticalsUpgrade listing →
Exscientia (Recursion)Upgrade listing →
Isomorphic Labs (DeepMind)Upgrade listing →
Genesis TherapeuticsUpgrade listing →
Xaira TherapeuticsUpgrade listing →
CarbonSilicon AIUpgrade listing →
Enveda BiosciencesUpgrade listing →
Anima BiotechUpgrade listing →
Polaris Quantum BiotechUpgrade listing →
AMPLY DiscoveryUpgrade listing →
Intelligencia AIUpgrade listing →
Nimbus TherapeuticsUpgrade listing →
Expert SystemsUpgrade listing →
BigHat BiosciencesUpgrade listing →
Iambic TherapeuticsUpgrade listing →
Celsius TherapeuticsUpgrade listing →
Silicon TherapeuticsUpgrade listing →
Interline TherapeuticsUpgrade listing →
Gandeeva TherapeuticsUpgrade listing →
Cognitive BiotechUpgrade listing →
Allosteric BioscienceUpgrade listing →
Ro5 (AI Drug Design)Upgrade listing →
Calico (Alphabet)Upgrade listing →
Model MedicinesUpgrade listing →
Ternary TherapeuticsUpgrade listing →
OrphAI TherapeuticsUpgrade listing →
Polaris PharmaceuticalsUpgrade listing →
Verge GenomicsUpgrade listing →
Relation TherapeuticsUpgrade listing →
InVivo Therapeutics AIUpgrade listing →
Pangea BiomedUpgrade listing →
ProPhet (Peptone)Upgrade listing →
Dyno TherapeuticsUpgrade listing →
Basecamp ResearchUpgrade listing →
Profluent BioUpgrade listing →
NaturalAntibodyUpgrade listing →
Tierra BiosciencesUpgrade listing →
DeepChain (InstaDeep)Upgrade listing →
Deep Intelligent PharmaUpgrade listing →
Medidata (Dassault)Upgrade listing →
Saama TechnologiesUpgrade listing →
Intelligent UltrasoundUpgrade listing →
Flatiron HealthUpgrade listing →
Komodo HealthUpgrade listing →
Huma TherapeuticsUpgrade listing →
Precision Medicine Group AIUpgrade listing →
Cognitive Clinical TrialsUpgrade listing →
Dalriada TherapeuticsUpgrade listing →
Lantern PharmaUpgrade listing →
BioXcel TherapeuticsUpgrade listing →
GNS HealthcareUpgrade listing →
Denovicon BiotechUpgrade listing →
DeepMind (AlphaFold Apps)Upgrade listing →
OpenTargets (EMBL-EBI)Upgrade listing →
Rosebud BiosciencesUpgrade listing →
Spring DiscoveryUpgrade listing →
Revvity (PerkinElmer AI)Upgrade listing →
Molecular Devices AIUpgrade listing →
ImageAI (Drug Screening)Upgrade listing →
Culture BiosciencesUpgrade listing →
Emerald Cloud LabUpgrade listing →
Insilico MedicineUpgrade listing →
Terray TherapeuticsUpgrade listing →
Relay TherapeuticsUpgrade listing →
Absci CorporationUpgrade listing →
Recursion PharmaceuticalsUpgrade listing →
Superluminal MedicinesUpgrade listing →
Deep Apple TherapeuticsUpgrade listing →
Function OncologyUpgrade listing →
Deep GenomicsUpgrade listing →
EvolutionaryScaleUpgrade listing →
Chai DiscoveryUpgrade listing →
Median TechnologiesUpgrade listing →
Eikon TherapeuticsUpgrade listing →

AI Drug Discovery Companies: Frequently Asked Questions

How many AI drug discovery companies are in this directory?
This directory lists 161 AI drug discovery companies across seven categories: generative chemistry, computational biology, target identification, protein design, clinical AI, drug repurposing, and phenomics and screening. It is updated regularly by the BioMed Nexus editorial team.
Who are the leading AI drug discovery companies in 2026?
Leading AI drug discovery companies include Recursion, Insilico Medicine, Schrödinger, Isomorphic Labs, Xaira Therapeutics, Generate Biomedicines, Absci and Iambic Therapeutics. They apply machine learning to molecular design, target discovery and protein engineering.
What are the main types of AI drug discovery companies?
AI drug discovery companies are commonly grouped by approach: generative chemistry, computational biology, target identification, protein design and engineering, clinical AI, drug repurposing, and phenomics and high-content screening. This directory organizes companies by these seven categories.
How is AI used in drug discovery?
AI is used across drug discovery to design novel molecules (generative chemistry), predict and design proteins, identify and validate targets from biological data, prioritize existing drugs for new uses (repurposing), and analyze cellular images and screens (phenomics). Companies apply machine learning at each stage.
What is generative chemistry in drug discovery?
Generative chemistry uses machine learning models to design new drug-like molecules with desired properties, rather than screening existing libraries. Companies such as Insilico Medicine, Iktos, Generate Biomedicines and Schrödinger use generative models to propose and optimize candidate compounds.
How can a company get listed or featured in the directory?
Any AI drug discovery company can claim a free basic listing. Featured Partners receive priority placement at the top of the directory, a dedicated landing page, backlinks, and a featured segment in the BioMed Nexus daily newsletter reaching 65,000+ subscribers. Spots are limited, so contact the BioMed Nexus partnerships team to learn more.
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About the AI Drug Discovery Companies Directory

The BioMed Nexus AI Drug Discovery Companies Directory is a comprehensive, regularly updated list of AI-native and computational drug discovery companies, spanning generative chemistry, computational biology, target identification, protein design and engineering, clinical AI, drug repurposing, and phenomics and high-content screening. It covers the leading AI drug discovery companies alongside emerging startups applying machine learning to therapeutics.

Use it to research AI drug discovery companies by approach, track the competitive landscape, and map platform and partnership opportunities. Whether you are a biotech investor evaluating the AI drug discovery sector, a pharma partner scouting AI platforms, or a scientist tracking machine learning in drug development, the directory provides structured, current company data. Curated and maintained by the BioMed Nexus editorial team; last updated July 2026.

Companies can claim a free basic listing or become a Featured Partner for priority placement, a dedicated landing page, backlinks, and a featured segment in the BioMed Nexus daily newsletter reaching 65,000+ subscribers. Contact our partnerships team to learn more.

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