From Plant to Drug Target
Automated.

Type a plant name. Get ranked binding affinities, ADMET profiles, 3D docking complexes, and AI pharmacology insights — in minutes, not months.

2,377+
Plant Species
104K
Compounds Indexed
8+
Export Formats
6
MPO Dimensions

Five stages.
One plant name.

BioPipeline takes your input and orchestrates the entire drug-discovery workflow end-to-end — no infrastructure, no setup required.

01
Phytochemical Profiling
Top compounds extracted and ranked by concentration from our curated plant database
02
Target Identification
Compounds mapped to the most relevant human protein targets using validated bioassay data
03
Molecular Docking
Precision structure-based docking with drug-likeness filtering and binding affinity scoring
04
ADMET Analysis
Full drug safety profile — absorption, metabolism, toxicity, and drug-likeness scoring
05
AI Insights
AI-powered pharmacology analysis with ranked lead recommendations and next steps

Everything a drug
discoverer needs.

From interactive 3D docking viewers to scaffold clustering and KEGG pathway enrichment — all in one dashboard.

3D Docking Complex Viewer
Interactive molecular viewer with real docked ligand inside the receptor binding pocket. Surface toggle, spin, and reset controls.
// INTERACTIVE 3D
Affinity Heatmap
Compound × target grid coloured by binding affinity. Colour-coded from strong binders to weak, with hover tooltips.
// COLOUR-CODED GRID
Network Graph
Interactive bipartite compound–target network. Drag nodes, explore connections, colour-coded by binding affinity.
// INTERACTIVE
Scaffold Clustering
Compounds grouped by structural scaffold similarity. Each cluster shows members ranked by binding affinity.
// STRUCTURAL ANALYSIS
MPO Radar Chart
6-dimension composite score radar — affinity, drug-likeness, absorption, safety, and metabolism in one view.
// 6-DIM COMPOSITE
Multi-Format Export
Download results in 8 formats — spreadsheet, JSON, PDF report, Markdown, and a full ZIP archive.
// 8 FORMATS
Literature Citations
Relevant research papers automatically surfaced for each compound–target pair. Direct journal links included.
// AUTO-CITATIONS
Pathway Enrichment
Hit genes mapped to human biological pathways — Signalling, Cancer, Metabolism — with link-outs to databases.
// PATHWAY ANALYSIS
2D Interaction Diagram
Radial ligand–residue diagram showing H-bonds, aromatic, and hydrophobic contacts. Exportable as SVG.
// SVG EXPORT

Watch it run in real-time.

Live progress tracking

5-stage pipeline indicator with real-time status messages, polling every 2 seconds.

Smart plant name search

Intelligent autocomplete across thousands of plant species — just start typing.

Shareable results permalinks

Every completed run gets a permanent URL — share findings with colleagues instantly.

Custom molecule docking

Dock any custom molecule structure against a target receptor — no full pipeline required.

biopipeline — pipeline runner
$ biopipeline run "Curcuma longa"
--top-compounds 10 --top-targets 3
 
[ stage 1/5 ] Phytochemical profiling...
→ matched: Curcuma longa
→ 10 compounds profiled and ranked
 
[ stage 2/5 ] Target identification...
→ 3 high-confidence protein targets found
 
[ stage 3/5 ] Molecular docking...
→ compound 1: -8.4 kcal/mol
→ compound 2: -7.9 kcal/mol
 
[ stage 4/5 ] ADMET analysis...
→ drug-likeness: PASS | cardiac risk: LOW | absorption: HIGH
 
[ stage 5/5 ] AI pharmacology insights...
✓ Pipeline complete — 8 hits ranked
 
$
Pipeline progress 100%

Publication-grade results.

Designed for professional drug discovery workflows. No compromises on scientific rigor or result quality.

−12
kcal/mol binding affinity
Industry-standard binding affinity scoring, configurable from rapid screening to publication-quality exhaustiveness.
Ro5
Drug-likeness Rules
Compounds are flagged, not excluded — natural products often remain orally bioavailable despite rule violations.
QED
Drug-likeness Score
Quantitative Estimate of Drug-likeness with grade A–D scoring, Veber rules, and PAINS alert screening.
5+
CYP Isoforms Screened
Major cytochrome P450 inhibitor flags assessed per compound — metabolism risk quantified at every run.

Full drug safety profile. Computed locally.

Every ADMET metric is computed on our infrastructure — physicochemical properties, drug-likeness, absorption, metabolism, and toxicity flags. Fast, private, reproducible.

GI Absorption
HIGH
QED Score
0.71
hERG Risk
LOW
MPO Score
0.83

Simple plans.
Research-grade scale.

Start free, upgrade when you need deeper runs, higher throughput, and team collaboration.

Launch discounts auto-apply to first-time paid users
Free
$0
forever
  • 8 runs / month
  • 150 credits / month
  • 10 compounds / run
  • 3 BLAST searches / day
  • CSV + JSON export
Get Started
Max
$20
/ month
Launch offer: $10 on first paid subscription
  • 75 runs / month
  • 2,600 credits / month
  • 50 compounds / run
  • 100 BLAST searches / day
  • Priority queue + advanced exports
Upgrade to Max
Enterprise
$25
/ seat / month
  • Unlimited runs
  • 6,500 credits / seat
  • 100 compounds / run
  • Unlimited BLAST + team controls
  • Priority support + invoicing
Talk to Sales

Common Questions

Everything you need to know about BioPipeline's molecular docking platform.

What plant species are available in the database?
BioPipeline indexes 2,377+ medicinal plant species with 104,000+ phytochemical compounds from Dr. Duke's Phytochemical and Ethnobotanical Databases. This includes well-studied species like Curcuma longa (turmeric), Cannabis sativa, Panax ginseng, Zingiber officinale (ginger), and thousands more traditional medicine plants.
How long does a typical docking run take?
Most runs complete in 2-5 minutes depending on the number of targets selected. Simple runs (1-3 targets) finish in under 3 minutes, while comprehensive runs with 10+ targets may take 5-7 minutes. Pro and Max users get priority queue access for faster processing during peak hours.
Can I upload my own protein structures or compound libraries?
Max and Enterprise plans support custom uploads. You can upload protein structures in PDB format and compound libraries in SDF, MOL2, or SMILES format. The SMILES Dock tool (available on all plans) allows single-compound docking against any PDB structure via PDB ID or file upload.
What file formats are supported for export?
Results can be exported in multiple formats:
  • CSV — Spreadsheet data with all metrics (all plans)
  • JSON — Structured data for programmatic access (all plans)
  • PDF — Professional report with visualizations (Pro+)
  • Excel — Formatted workbook with multiple sheets (Pro+)
  • SDF — 3D structures for further analysis (Max+)
  • PDBQT — Docked poses for validation (Max+)
Is the ADMET analysis validated?
Our ADMET predictions use established RDKit descriptors and Lipinski's Rule of Five, which are industry-standard computational methods. However, these are computational predictions, not experimental data. For regulatory submissions or clinical decisions, we strongly recommend experimental validation using in vitro assays (Caco-2, MDCK, microsomal stability, hERG binding, etc.).
Do you offer academic discounts?
Yes! Academic institutions receive 50% off Pro and Max plans. Simply contact us at billing@biopipeline.online with your .edu email address and proof of affiliation (student ID, faculty page, or institutional email). The discount applies to annual subscriptions and includes all features of the respective tier.
Can I integrate BioPipeline into my workflow via API?
Max plan includes full REST API access for programmatic submissions and result retrieval. Enterprise plans support custom integrations, webhooks, batch processing, and dedicated endpoints. API documentation is available in-app after upgrading. Rate limits: Max (1000 req/day), Enterprise (custom).
What AI model generates the pharmacology insights?
We use Groq's Llama 3 model (70B parameters) to analyze docking results, ADMET profiles, and compound properties. The AI generates human-readable summaries, identifies promising lead candidates, suggests experimental validation strategies, and highlights potential drug-drug interactions or safety concerns. All AI insights include confidence indicators and should be reviewed by qualified researchers.
How accurate are the binding affinity predictions?
AutoDock Vina typically achieves ±2 kcal/mol accuracy compared to experimental values for well-prepared systems. Predictions are most reliable for:
  • High-resolution protein structures (< 2.5 Å resolution)
  • Compounds within drug-like chemical space
  • Known binding sites with experimental validation
Predictions are less reliable for flexible proteins, allosteric sites, or compounds with unusual chemistry. Always validate top hits experimentally before investing in synthesis or further development.
What happens to my data? Is it private?
Your pipeline runs and results are private by default and visible only to your account. We do not share, sell, or train AI models on your proprietary data. You can permanently delete runs from your history at any time. Enterprise customers can request data residency options and dedicated infrastructure. See our Privacy Policy for complete details.

Start your drug discovery pipeline today.

No setup. No infrastructure. Type a plant name and get publication-ready results in minutes.

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