AI-powered
Computational
Discovery Partner
TARS Scientific integrates molecular modeling, AI prediction, and expert-led CRO services to support hit discovery, lead design, and specialized drug discovery programs.
Services
Across the Drug Discovery Workflow
From early target assessment to lead optimization — scoped to your research stage.
Research Support
Modeling CRO Services
Need docking figures, interaction maps, or ADMET data for a paper, grant, patent, or reviewer response?
Deliverables
Early Discovery
Target & Binding Feasibility
Not sure if your target is druggable or worth pursuing? We evaluate the structural and strategic feasibility before you commit.
Deliverables
Hit Discovery
AI-Enhanced Virtual Screening
Have a target but no hits? We screen compound libraries and deliver a prioritized list ready for experimental validation.
Deliverables
Lead Design
Lead Design & Optimization
Have hits but need a synthesis roadmap? We identify SAR trends, design analogs, and flag ADMET liabilities.
Deliverables
How We Work
Three Ways to Work with TARS
Choose the model that fits your team, timeline, and research stage.
Expert Research Partnership
TARS experts directly own and execute your project — target assessment, virtual screening, lead design, and specialized programs. You get results, not raw data.
Discovery Cloud
A web-based platform to run docking/ADMET jobs, manage compound libraries, track screening results, and generate reports — with expert support available on demand.
AI-Assisted Discovery
AI handles the repetitive analysis and report drafting while TARS experts review and validate every key decision. Faster turnaround, same scientific rigor.
Why TARS
Results You Can Build On
Beyond Docking Scores
We evaluate pose reliability through structural validity, reference ligand reproduction, interaction consistency, and SAR alignment — not just a number.
Actionable, Not Just Analytical
Every deliverable connects to a decision: which compound to synthesize next, which target to prioritize, which program to advance.
Expert-Owned Results
Our scientists interpret every result. AI accelerates the workflow — but scientific judgment and accountability stay with us.
Specialized Projects
Beyond Small Molecules
Complex modality programs are available by consultation.
TPD / PROTAC
Degrader & PROTAC Design
Peptide / GLP-1R
Peptide & GLP-1R Agonist Design
Antibody
Antibody Modeling & Engineering
Protein Interaction
PPI & Protein Binder Design
Multimodal Strategy
Modality Strategy & Roadmap
Get Started
Discuss Your Target
Tell us about your research goals and target. We will propose the right service scope and timeline for your program.
Contact Us →