CRO Services




Drug discovery meets AI

Drug discovery meets AI


At MatGen, we merge data science with computational chemistry and biology, bioinformatics, software development, and cheminformatics. Our experience spans various biotech and pharmaceutical collaborations, either as a close partner or an independent analysis service provider.

Contact us to learn more about our expertise, our toolset, and we can benefit your work.

Scroll down for more details on the type of services that we routinely provide.






MatGen is synonymous with  bespoke

MatGen is synonymous with  bespoke



MatGen is a computational contract research organization (CRO) and staff augmentation company specializing in flexible, tailored engagements. We collaborate with clients either on a per-project basis or by embedding our computational experts directly into client teams - full-time or part-time - to perform analyses, develop pipelines, and seamlessly integrate with existing workflows.

MatGen employs and connects an extensive network of expert data scientists, computational biologists and chemists, and software engineers, ensuring top-tier talent tailored specifically to your project needs.

Our approach is grounded in rigorous data modeling and computational excellence, yet fully adaptable to diverse client requirements. Below, we highlight project categories where we've delivered significant impact.






From conceptualization, through clinical trials, to market

From conceptualization, through clinical trials, to market



Target identification and validation

Target identification and validation

Target identification and validation


  • GWAS and exome sequencing analysis
  • RNA-seq/transcriptomics profiling
  • Natural language processing for target discovery
  • Network and pathway mapping


  • Single-cell RNA analysis and clustering
  • Proteomics and metabolomics analysis
  • AI-powered medical image analysis
  • Multi-omics data integration

Structural modeling

Structural modeling

Structural modeling


  • Molecular dynamics simulations
  • AI-based structure prediction
  • Target-ligand docking analysis
  • Cryo-EM and NMR data processing


  • Macromolecule flexibility assessment
  • Structure-based druggability analysis
  • Protein and/or oligonucleotide interaction modeling
  • Custom visualization platforms

Hit generation

Hit generation

Hit generation


  • AI-driven molecule generation
  • Machine learning virtual screening
  • Structure-activity modeling
  • High-content screening analysis


  • Biologics design (including chemically modified)
  • Drug repurposing analytics
  • Side effect prediction
  • Hit-to-lead assessment

Lead optimization

Lead optimization

Lead optimization


  • Downstream effect modeling
  • ADME/T property prediction
  • Polypharmacology analysis
  • Structure-guided optimization


  • Peptide, protein, RNA/DNA structure optimization
  • Deep learning compound design
  • Drug resistance modeling
  • Molecular property prediction

Preclinical modeling & analysis

Preclinical modeling & analysis

Preclinical modeling & analysis


  • PK/PD modeling and simulation
  • Toxicity and immunogenicity prediction
  • Transcriptome profile evaluation
  • AI-based histopathology analysis


  • Multi-omics data integration
  • Drug combination modeling
  • Biomarker development

Clinical trials

Clinical trials

Clinical trials


  • Patient cohort identification
  • Data analysis, visualization, management
  • Biomarker-based stratification
  • Survival analysis modeling


  • Treatment response prediction
  • Medical imaging analysis
  • Multi-omics biomarker discovery
  • Real-world data integration






How to get started with MatGen

How to get started with MatGen



Analytical services via staff augmentation, as listed above, are our bread and butter. We also have a track record of excellence in developing custom software solutions for our clients, from simple de-Excel-ification of customer data to increase data safety, consistency, and reproducibility, to building advanced AI pipelines to ensure that you get the most out of your data. See here for concrete examples of what we have created for our clients.

CRO and custom software services are our foremost focus, so we have made sure that the or working with MatGen is as smooth as possible from the logistical perspective. Navigate here to learn how the engagement process with MatGen works.

Finally, book a meeting with us, or, for other ways to drop us a line, have a look at our Contact section.