CROs offering Computational & In-Silico Drug Discovery with Small Molecule

Matching companies

• AAPharmaSyn

  Medicinal chemistry CRO specializing in custom lipid synthesis, stable isotope labeling, hit-to-lead optimization, and process development for pharmaceutical and biotech clients since 2006.

• Aragen Life Sciences

  Global CRDMO partner offering integrated discovery-to-commercialization services across small molecules and biologics, with 4000+ scientists and R&D/manufacturing campuses in Asia, North America, and Europe.

• Aurigene Pharmaceutical Services Limited

  Integrated CRO-CDMO with 25+ years of discovery and development expertise across small and large molecules, operating 16 US FDA-inspected cGMP facilities across three manufacturing countries.

• Axcelead Drug Discovery Partners, Inc.

  Axcelead provides integrated drug discovery research services to pharmaceutical companies, biotech ventures, and academic institutions. Founded in 2017 from Takeda's drug discovery research base, the company offers expertise across small molecules, nucleic acids, antibodies, and multiple therapeutic modalities.

• BioDuro-Sundia

  BioDuro-Sundia is a contract research, development, and manufacturing organization (CRDMO) with 30 years of expertise providing integrated drug discovery, development, and manufacturing services from target identification through IND submission.

• Certara

  Certara transforms drug development with proprietary biosimulation software, predictive modeling, and AI-driven services spanning discovery through commercialization. Serving 2,400+ biopharmaceutical companies and regulatory agencies across 70 countries, Certara's model-informed drug development (MIDD) platform accelerates clinical and regulatory decision-making.

• ChemDiv

  ChemDiv is a fully integrated target-to-clinic CRO headquartered in San Diego, CA, offering drug discovery services including medicinal chemistry, CADD, ADME/DMPK, toxicology, and custom synthesis alongside the industry's largest commercial screening library of 1.6M compounds.

• ChemPartner

  Global preclinical CRO with 20+ years of experience supporting drug discovery through IND submission across small molecules and biologics, with 2,000+ scientists and facilities worldwide.

• Eurofins Discovery

  Eurofins Discovery provides comprehensive drug discovery CRO services across small molecules and biotherapeutics, with over 40 years of industry experience and a portfolio of 23,000+ services and products supporting discovery through development.

• Frontage Laboratories

  Global pharmaceutical development organization offering integrated drug discovery, preclinical safety/toxicology, DMPK, bioanalytical, and clinical trial services across 28 sites with 2,200 employees and 200+ FDA inspections.

• HitGen Inc.

  Provides DNA-encoded library (DEL) design and screening, FBDD/SBDD, medicinal chemistry, and oligonucleotide CDMO services. HAILO, its DEL+AI+Automation platform, supports molecular optimization for pharma clients.

• Nuvisan

  Full-service CRO and CDMO with specialized competency centers in drug discovery, formulation development, GMP manufacturing, and bioanalytical services across Germany and France.

• Oncodesign Services

  Contract research organization specializing in drug discovery and preclinical services for oncology, inflammation, and infectious diseases since 1995.

• PI Health Sciences

  PI Health Sciences is an integrated CRDMO offering end-to-end drug discovery, development, and manufacturing services with R&D and manufacturing locations in Europe and India.

• Pharmaron

  Premier life science CRO and CDMO offering integrated R&D and manufacturing across drug discovery, preclinical, clinical development, and commercialization for small molecules, biologics, and cell & gene therapies. 25,000+ employees across China, US, and UK.

• PozeSCAF Inc.

  Preclinical drug discovery CRO combining proprietary generative AI platform AxDrug with computational chemistry, synthetic chemistry, and in vitro biology to accelerate hit discovery and lead optimization for biotech and pharma clients.

• Proone Labs

  Proone Labs provides preclinical pharmacology, drug discovery, and regulatory support services to biotech startups, traditional pharma, and in-silico companies. The team has delivered 30+ assays, 50+ cell lines, and supported 4 FDA drug approvals across multiple therapeutic areas.

• Selvita

  Selvita is an integrated drug discovery and development service provider offering comprehensive solutions from target validation through preclinical candidate nomination and clinical manufacturing, with expertise in small molecules, antibodies, and protein degraders.

• SteerOn Research

  Discovery chemistry CRO offering computational, medicinal, synthetic, and analytical chemistry services alongside regulatory support including PDE/OEL assessments, genotoxicity evaluations, and pharmacovigilance for pharmaceutical and biotech clients.

• Synfini, Inc.

  Synfini provides AI-driven drug discovery services from target selection through lead optimization, combining cloud-based AI design tools with robotic wet lab automation to accelerate DMTA cycles across diverse chemical modalities and therapeutic indications.

• Syngene International

  Innovation-led CRDMO offering integrated scientific services from early discovery through commercial manufacturing, with cGMP-compliant facilities, 5,200+ scientists, and a new 50,000-liter single-use bioreactor capacity in the U.S.

• Vipergen

  Vipergen provides DNA-encoded library (DEL) screening services for hit identification in early-stage drug discovery, offering both in vitro and in-cell selection formats with high-fidelity libraries containing 500+ million drug-like molecules.

• WuXi AppTec

  Global CRDMO platform providing integrated end-to-end contract research, development, and manufacturing services across discovery, preclinical, clinical, and commercial phases for small molecules, peptides, oligonucleotides, and biologics across 30+ countries.