1HSG · HIV Protease · RCSB PDB

AI-Assisted Drug Discovery

Months of Screening. Done in Hours.

Replace months of manual screening with a single afternoon. Give AiDDA a protein target and get back a ranked, safety-assessed candidate portfolio — ready for wet-lab validation.

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See It in Action

From protein target to drug candidates

Watch AiDDA's autonomous agents screen, score, and validate — in real time.

Three steps to your first campaign

Set up in the morning. Review candidates by lunch.

Describe your target

Name your protein and compound class in plain English. AiDDA researches the biology, finds binding sites, and curates a compound library.

AI screens & evaluates

Virtual docking, safety profiling, and chemical feature analysis run in parallel. Multiple AI analysts cross-check findings.

Review your results

A prioritised portfolio with binding scores, safety flags, and scientific rationale — ready for your team or a grant submission.

Intelligent Screening

Screen thousands of compounds in minutes

AiDDA takes your protein target and automatically identifies druggable binding sites, curates a relevant compound library from public databases, and runs GPU-accelerated virtual screening — delivering ranked hits faster than traditional methods by orders of magnitude.

Automatic binding site detection
Consensus scoring reduces false positives
1,000+ compounds screened per campaign

Compounds screened per campaign

Hours

Not weeks or months

Zero

Coding or setup required

Any

Protein target supported

View benchmark results KRAS G12C case study

Safety First

Filter out liabilities before they reach the bench

Every candidate is assessed for drug-likeness, predicted toxicity, metabolic stability, and off-target risks. You see the full safety picture alongside binding data — so you can deprioritise problematic compounds before spending time and budget on wet-lab validation.

Toxicity and mutagenicity predictions
Metabolic liability flagging
Drug-likeness filtering (Lipinski and beyond)
Off-target risk assessment

Safety Profile Preview

Drug-likenessPass

Cardiac riskLow

HepatotoxicityLow

MutagenicityNone detected

CYP inhibitionModerate

Actionable Output

Reports your team can act on immediately

Every campaign concludes with a comprehensive research report — not just a spreadsheet of scores. You get prioritised candidates with scientific rationale, target intelligence, binding analysis, and recommended next experiments. Structured for team review, grant writing, or regulatory submission.

Tiered candidate portfolio with rationale
Target biology and pathway context
Structure-activity relationship insights
Recommended follow-up experiments

Campaign Report Contents

Executive Summary2 pages

Key findings and top candidates

Target Intelligence4–6 pages

Biology, pathways, clinical context

Screening Results8–12 pages

Ranked portfolio with binding data

Safety Assessment4–6 pages

Per-compound risk profiles

SAR Analysis3–4 pages

Chemical feature insights

Experimental Plan2–3 pages

Prioritised next steps

Built for researchers at every stage

Whether you're an academic PI exploring a new target or a biotech scaling hit-to-lead, AiDDA adapts to your workflow.

Academic Labs

Explore new targets without needing computational chemistry expertise. Generate publication-ready data and strengthen grant applications.

Grant-ready screening reports from a single afternoon

Biotech Teams

Run multiple campaigns in parallel across targets. Focus your team on evaluating and validating — not data wrangling.

Screen 10+ targets per quarter instead of 2-3 per year

CROs & Service Labs

Offer virtual screening as a service with consistent, reproducible methodology and full audit trails.

Client-ready deliverables with documented methodology

Introductory Pricing

Pay for results, not access

Every plan is built around campaigns — a complete screening run with a research report you can act on. No seat fees. No API metering. You pay when we deliver.

Starter

$500/month

For academic PIs, solo founders, and lean seed-stage startups

5 campaigns per month
Web-based dashboard
AI-assisted screening & safety analysis
Full research reports per campaign
Email support
$200 per additional campaign

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Team

$2,000/month

For Series A biotechs and active labs managing multiple targets

20 campaigns per month
Shared team workspaces
AI-generated novel compounds
Faster results with priority processing
Priority email & Slack support
$200 per additional campaign

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Growth

$5,000/month

For CROs and high-throughput screening operations ready to scale

50 campaigns per month
API access for LIMS integration
Custom screening workflows
Dedicated Customer Success Manager
SLA with uptime guarantees
$200 per additional campaign

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Frequently asked questions

Straight answers to common questions.

AiDDA works with any protein target for which structural data is available. Simply provide your target and AiDDA handles all preparation automatically, including binding site identification. You can also upload your own structural files if you have proprietary or unpublished data.

AiDDA uses a proprietary consensus scoring approach that combines complementary computational methods, significantly outperforming single-method workflows in benchmark studies. We provide benchmark data across multiple target classes so you can calibrate confidence in the results before committing to wet-lab validation. See our full benchmark results.

Yes, AiDDA supports on-premises deployment for organisations with sensitive compound libraries or specific data residency requirements. Our enterprise tier includes full deployment support, security review, and custom integration with your existing infrastructure.

AiDDA comes pre-loaded with access to industry-standard databases covering millions of commercially available compounds. You can also upload your own proprietary libraries in standard chemical file formats, and AiDDA handles all preparation steps automatically.

AiDDA's AI analyses your campaign across multiple scientific dimensions simultaneously — target biology, binding potential, safety profile, and interaction quality. Rather than a rigid linear workflow, it reasons across all of these in parallel and synthesises the findings into a ranked shortlist with clear scientific rationale for every decision.

Every campaign produces a comprehensive research report covering: candidate rankings with supporting evidence, safety and drug-likeness assessments, binding interaction analysis, target biological context, and a full methodology section. Reports are structured for team review, regulatory submissions, or direct use in grant and publication writing.

We price on campaigns because that is the unit of value — a complete screening run with a full research report you can act on. Seat-based pricing penalises collaboration; API-call pricing is unpredictable and disconnected from outcomes. With campaign pricing, your cost scales with the work you actually do.

Stop waiting. Start screening.

Your first campaign takes 10 minutes to set up. Results land the same day.

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