Platform Features

Comprehensive drug discovery powered by AI and regulatory expertise

Multi-Library Knowledge Discovery

Access the world's most comprehensive pharmaceutical knowledge base, spanning traditional and modern medicine systems.

Western Pharmaceutical Database

  • FDA-approved drugs and mechanisms
  • Clinical trial data and outcomes
  • Synthetic compound libraries
  • Modern pharmacology research

Traditional Medicine Systems

  • Ayurvedic formulations and phytochemicals
  • Traditional Chinese Medicine compounds
  • Maya ethnobotanical knowledge
  • Cross-cultural validation studies

ADME/Tox Prediction

In silico prediction of pharmacokinetic and toxicity profiles before expensive wet-lab experiments.

Absorption & Distribution

  • Oral bioavailability prediction
  • Blood-brain barrier penetration
  • Plasma protein binding
  • Tissue distribution modeling

Metabolism & Excretion

  • CYP450 enzyme interaction
  • Metabolite prediction
  • Half-life estimation
  • Clearance route analysis

Toxicity Assessment

  • Ames mutagenicity test prediction
  • hERG liability (cardiac toxicity)
  • Hepatotoxicity markers
  • Carcinogenicity screening

Synthesis Feasibility & Route Planning

AI-powered retrosynthetic analysis with real-world feasibility scoring and step-by-step procedures.

Retrosynthetic Analysis

  • Automated disconnection strategies
  • Multiple route generation
  • Starting material identification
  • Reaction condition optimization

Feasibility Scoring

  • Commercial availability of reagents
  • Reaction yield predictions
  • Cost estimation
  • Scale-up considerations

Step-by-Step Procedures

  • Detailed reaction protocols
  • Safety considerations
  • Purification methods
  • Quality control checkpoints

Molecular Docking & Binding Affinity

Predict target-ligand interactions with advanced docking algorithms and structure visualization.

Target Analysis

  • Protein structure preparation
  • Binding site identification
  • Active site characterization
  • Flexible residue handling

Docking Simulation

  • Multiple pose generation
  • Scoring function optimization
  • Binding affinity prediction
  • Interaction fingerprinting

Visualization & Optimization

  • 3D structure visualization
  • Interaction maps (H-bonds, hydrophobic)
  • Structure-based optimization
  • Pharmacophore modeling

Note: Molecular docking is available in Enterprise tier only.

Natural Language Query Interface

Interact with the platform using natural language in English or Spanish. No specialized query syntax required.

Conversational Queries

Ask questions like: "Find compounds with anti-inflammatory activity that cross the blood-brain barrier" or "What are patentable alternatives to ibuprofen?"

Bilingual Support

  • English lexicon: 5,500+ pharmaceutical terms
  • Spanish lexicon: 9,295+ lemmas with conjugations
  • Medical terminology in both languages
  • Automatic language detection

Context-Aware Responses

  • Multi-turn conversations
  • Reference previous queries
  • Clarification requests
  • Structured output formats

Export & Integration Capabilities

Seamlessly integrate results into your existing workflows and tools.

Export Formats

  • PDF reports (formatted, professional)
  • JSON (machine-readable)
  • CSV (spreadsheet-compatible)
  • SDF/MOL (structure files)

API Access (Enterprise)

  • RESTful API
  • Programmatic queries
  • Batch processing
  • Webhook notifications

Custom Integration

  • Connect to internal databases
  • ELN (Electronic Lab Notebook) integration
  • LIMS connectivity
  • Custom data pipelines

Experience These Features Today

Try the free demo or schedule a personalized walkthrough with our team.