Services

Computational sciences across discovery and development.

We merge data science with computational chemistry and biology, bioinformatics, cheminformatics and software engineering. Our experience spans biotech and pharmaceutical collaborations, either as a close partner or as an independent analysis provider.

01How we work

Flexible, custom-tailored engagements, built around your project and your team.

MatGen collaborates either on a per-project basis or by embedding computational experts directly into client teams, full-time or part-time, to run analyses, develop pipelines, and fit into workflows that already exist.

We employ and connect an extensive network of expert data scientists, computational biologists and chemists, and software engineers, which means we can match the expertise to your project rather than the other way round. The people proposed for the work are named before anything is signed.

Our approach is grounded in rigorous data modeling and stated assumptions, producing results that hold up when someone reruns them. Below we set out the stages of discovery and development where that work lands.

02The pipeline

From conceptualization, through drug development, to market.

Six stages. Most engagements live in one or two of them, and the useful thing about having covered all six is knowing what the next stage will ask of the decision you are making now.

Stage 01

Target identification and validation

  • GWAS and exome sequencing analysis
  • Single-cell RNA analysis and clustering
  • RNA-seq and transcriptomics profiling
  • Proteomics and metabolomics analysis
  • Network and pathway mapping
  • AI-powered medical image analysis
  • Natural language processing for target discovery
  • Multi-omics data integration
Stage 02

Structural modeling

  • Molecular dynamics simulations
  • Macromolecule flexibility assessment
  • AI-based structure prediction
  • Structure-based druggability analysis
  • Target–ligand docking analysis
  • Protein and oligonucleotide interaction modeling
  • Cryo-EM and NMR data processing
  • Custom visualization platforms
Stage 03

Hit generation

  • AI-driven molecule generation
  • Biologics design, including chemically modified
  • De novo binder design
  • Drug repurposing analytics
  • Machine learning virtual screening
  • Side-effect prediction
  • Structure–activity modeling
  • Hit-to-lead assessment
Stage 04

Lead optimization

  • ADME/T property prediction
  • Peptide, protein and RNA/DNA structure optimization
  • Downstream effect modeling
  • Deep learning compound design
  • Polypharmacology analysis
  • Drug resistance modeling
  • Structure-guided optimization
  • Molecular property prediction
Stage 05

Preclinical modeling and analysis

  • PK/PD modeling and simulation
  • Multi-omics data integration
  • Toxicity and immunogenicity prediction
  • Drug combination modeling
  • Transcriptome profile evaluation
  • Biomarker development
  • AI-based histopathology analysis
Stage 06

Clinical development

  • Patient cohort identification
  • Treatment response prediction
  • Biomarker-based stratification
  • Medical imaging analysis
  • Survival analysis modeling
  • Multi-omics biomarker discovery
  • Trial data analysis, visualization and management
  • Real-world data integration
03Method

We choose methods to fit the data and the question.

A great deal of current work is deep learning, and deep learning is not appropriate everywhere. A twelve-sample dose–response study is better served by a hierarchical model and an honest confidence interval than by a transformer; a screen across a million compounds is not.

The method therefore follows the data: how much of it there is, how it was collected, what is being asked, and what the consequences are if the answer is wrong. Where a simple model and a complex one perform the same, we use the simple one, since someone will need to read it a year from now.

The same applies to infrastructure. Reproducibility is what keeps an analysis meaningful long after it was first run, so we build it in from the start rather than adding it afterwards. See what that has looked like on real projects.

How to get started with MatGen

Whether you need embedded computational expertise, a scoped analytical project, or custom software built around your workflows, the first step is the same. Navigate here to learn how the engagement process with MatGen works.