PharmDex
PharmDEXBeta
AI-Powered Compatibility Prediction
PharmDexPharmDEX
From India with ❤️ to the World
Now Version 1.1.0 Beta Available from June 2, 2026
PRECISION DISCOVERY ENGINE

Excipient Compatibility Discovery Engine

A clinical-grade platform leveraging machine-learning models to predict API–excipient compatibility, accelerating pharmaceutical formulation research with confidence-scored results.

CORE CAPABILITIES

Research-Grade Analysis Tools

PharmDex operates at the intersection of molecular modeling and ML-driven intelligence filtering for excipient discovery.

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Single Analysis

Granular molecular inspection using ML models for precise API–excipient compatibility prediction.

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Batch Discovery

High-throughput screening across multiple excipient candidates with automated ranking and filtering.

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Deep Scan

Multi-layered ML validation providing extended pharmacokinetic profiling for critical formulation decisions.

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SYSTEMATIC WORKFLOW

How to Run an Analysis

PharmDex simplifies complex molecular compatibility screening into three fast, scientific steps.

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STEP 01

Input SMILES String

Provide your target API compound and selected excipients using standard SMILES notation (supporting up to 2,000 characters) directly in our input forms.

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STEP 02

Run Model Computation

The 3-Tier ML routing engine extracts key chemical properties, passing them to calibrated Ensemble and Organic prediction models.

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STEP 03

Interpret Results

Access calibrated Conformal Confidence intervals (High/Moderate/Low Tiers), compatible outcomes, and SHAP molecular property charts.

ACCESS LEVELS

Intelligence Tiers

Whether you are an independent researcher or an institutional team, PharmDex scales to your requirements.

LEVEL 01

Guest Access

Basic molecular scanning for individual exploration and verification.

Free
  • check1 Single Analysis per Day
  • checkNo Batch Discovery
  • checkNo Deep Scan
Start Scanning
LEVEL 02 · RECOMMENDED

Registered

Full toolkit for all registered users — researchers, students, and professionals.

Free(Registered)
  • check10 Single & 5 Batch Queries per Day
  • check1 Deep Scan per Day
  • checkFull Results Access
  • checkExport PDF & CSV
Create Account
LEVEL 03

Institutional

Extended access for university labs, research groups, and student teams.

Free
  • checkHigher Credits on Request
  • checkFor Labs, Students & Research Groups
  • checkVerified via ORCID or Institutional Email
Contact Us
check_circlePharmDEX is an initiative to make high-quality research tools accessible to all researchers, students, and institutions — completely free.
FREQUENTLY ASKED QUESTIONS

Have Questions? We Have Answers

Quick answers to common questions about PharmDex's computational tools, access tiers, and workflows. For more details, explore our full User Documentation Page.

Single Analysis verifies compatibility for 1 API vs 1 excipient pair with complete SHAP explanations. Batch Discovery scans up to 20 excipients in parallel. Deep Scan performs an instantaneous scan of your API against our entire library of 690+ catalog compounds. For how-to steps on using each analysis tool, explore our Analysis Guide.
Our machine learning routing engines achieve high, calibrated accuracy with macro F1 scores of 0.83 for Tier 1 (Organic Model) and 0.82 for Tier 2 (Inorganic/Salt models). Tier 3 predictions use deterministic rules with 1.0 confidence.
No. All verdicts are computational prediction guides only, designed to accelerate formulation screening and minimize bench search space. They do not replace physical laboratory compatibility studies (DSC, FTIR, XRD, HPLC, or isothermal stress testing).
If you are a student, professor, or group lead at a university lab, you can request a tier boost. Simply log into your account, visit your User Profile, and submit details about your academic scope. For more information, check the Account & Quota Logistics Guide.
Researchers can propose new excipients by submitting the name, SMILES structure, and a supporting validation reference DOI via the portal. Contributed molecules enter our review pipeline. For a complete overview of the guidelines, visit the Contribution Workflow Docs.
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Have an Excipient to Contribute?

Help grow the community — contribute your excipient data and expand the master library for researchers everywhere. Share a compound SMILES, name, and reference DOI to get started.

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