From research intent to molecular design.
Connect target understanding, molecular design and multi-property evaluation across protein, antibody and peptide research, bringing computation and experiments into candidate exploration.
AI CRO service framework
Choose by stage: intelligently designed molecules, or experimentally validated candidates.
Mode 1: AI-driven dry-lab CRO service
2–4 weeks
AI-driven dry-lab CRO serviceMode 1 · delivers intelligently designed future molecules Over 90%
Cost reductionMode 1 · vs the conventional design–screen cycle Core value
- Fast, low-cost explorationComplete in weeks the design–screen cycle that takes conventional methods years and millions of dollars.
- Beyond known chemical spaceFind new, high-potential molecular entities beyond the reach of human experience.
- Zero-risk startTest several targets or design ideas for a very low initial outlay, and commit to costly experiments only once the best molecules are in hand.
Mode 2: AI-driven end-to-end early research service
6–8 weeks
AI-driven end-to-end early research serviceMode 2 · target to PCC, delivers experimentally validated candidates Over 70%
Wet-lab cost and time reductionMode 2 · vs conventional wet-lab work Core value
- One team, end to endWork with a single team to manage the whole path from concept to PCC.
- Quality, speed and cost in balanceAI design sharply cuts the number of molecules to synthesize and test (possibly from thousands to dozens), compressing conventional wet-lab cost and time by over 70%.
- Controlled risk, a clear pathA fixed total price or staged payments make R&D spending more predictable.
Early research, end to end
Original RL-based target identification, combined with frontier science and clinical R&D experience, covers the whole of early drug research: target discovery, clinical subtyping, molecular design with simultaneous multi-property optimization, and druggability assessment.
- Hit & Lead Target discovery to Virtual screening
- PCC & IND Molecule optimization to Evidence integration
- Target discovery
- Target validation
- Clinical subtyping
- Molecule generation
- Virtual screening
- Molecule optimization
- Druggability assessment
- Evidence integration
- Clinical trials
Dynamic database
- Literature and patents
- Omics and pathway annotation
- GWS genetic data
- Wet-lab data
- Other public data
Memory
More than molecular designTarget validationClinical subtypingSimultaneous multi-property optimization
Research scope, experimental plans and deliverables are defined for each project.
Technical solutions by molecule type
From antibodies and peptides to conjugates and functional proteins, design, evaluation and research collaboration organized around each molecule type.
Antibodies / recombinant proteins
Antibody sequence design
- Target optimization and epitope discovery
- Antibody generation from target structure
- Antibody structure prediction and screening
- pH-sensitivity design
- Affinity and activity assessment
Antibody optimization
- Simultaneous multi-property optimization: affinity, stability, activity, immunogenicity and more
- Pharmacokinetic optimization
- Side-chain modification
- Druggability and developability optimization
Antibody evaluation
- Antibody–target binding function
- Antibody structure quality
- Specificity, internalization and more
VHH and fusion proteins
- VHH sequence design
- CDR optimization
- Fc-VHH fusion sequence design
- Developability optimization and druggability screening
TCE
Tumor antigen design
- Cancer gene discovery with reinforcement learning and multi-omics
- Gene–antigen mapping for antigen discovery
- Antigen assessment, including immunogenicity and pocket location
- Epitope prediction and analysis
Antibody design and optimization
- Antibody generation from multiple epitopes
- Antibody structure prediction and screening
- pH-sensitivity design
- Multi-property optimization
- Structure evaluation and iteration
- Druggability prediction
Peptides
Peptide sequence design
- De novo peptide sequence design
- Molecule generation from target structure
- Peptide structure prediction and screening
- Peptide modification
- Affinity and stability assessment
Peptide optimization
- Simultaneous multi-property optimization: stability, activity, toxicity, immunogenicity and more
- Developability: expression, solubility, aggregation and more
- Peptide expression optimization
- Druggability analysis and optimization: cytotoxicity, pharmacokinetics and more
Conjugates
Linker, antibody and ternary-complex optimization
- CDR optimization
- Cleavable linker design and hydrophobicity optimization
- Payload generation and screening
- Developability and conjugation-site screening
- Joint optimization of the ternary complex for affinity, toxicity, internalization and more
mRNA
mRNA design research
- Study sequence design with multiple objectives
- Explore designs in relevant cellular contexts
- Support candidate selection with computational evaluation
Enzymes and synthetic biology
Functional protein design
- Explore protein design around functional objectives
- Connect amino acid sequence and structural information
- Use evolutionary relationships in molecular research
- Explore multi-property design around activity and stability
Other R&D services
Multi-omics research
Literature, patent and omics analysis
- Target discovery and validation
- Epitope discovery
- Protein interaction research
- Clinical subtyping research
- Indication discovery
Single-cell sequencing analysis
- Single-cell transcriptomics
- Spatial transcriptomics
- Proteomics
- Epigenetic sequencing analysis
- RNA-seq quality control and analysis
Model services
Vertical models
- Model training on wet-lab data
- Algorithm development
- Model deployment
Platform services
- Standard agent platform subscription
- Custom platforms
Disease areas
- Breast cancer
- Gastric cancer
- Lung cancer
- Prostate cancer
- Alzheimer's
Antibody engineering meets generative design
From sequence engineering to generative methods, antibody research continues to expand its design space. AI offers new ways to study structure, function and developability together.
Sequence research
Explore antibody sequence design in relation to target recognition and molecular function.
Framework optimization
Study framework and variable-region relationships in antibody humanization and functional retention.
Structural understanding
Connect amino-acid sequence and conformation to analyze molecular interactions.
Multi-property assessment
Consider binding, stability and developability in design trade-offs.
Generative design
Explore antibody candidates with generative models and multi-property assessment.
AI research
Consulting
Business inquiries: Ms. Shen, email bd@molpeai.com. Share your research objectives and current stage to shape the right collaboration.