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Reinvent Molecular Discovery with AI

Accelerate drug discovery with cutting-edge AI. From ADMET analysis to virtual screening and automated molecule generation, MolForge transforms your R&D pipeline.

State-of-the-Art Features

MolForge combines AI with advanced scientific methods to deliver comprehensive molecular analysis and drug design capabilities.

ADMET Predictions

State-of-the-art prediction of absorption, distribution, metabolism, excretion, and toxicity using deep learning.

  • Validated AI algorithms
  • Lipinski & Veber compliance
  • Instant comprehensive reports

High-Speed Virtual Screening

Screen massive compound libraries with AutoDock Vina and advanced scoring functions.

  • Multi-target docking
  • AI-powered pose prediction
  • False positive detection

Generative AI Models

Design novel molecules using RL, VAE, and GANs optimized for drug-likeness.

  • Chemical space exploration
  • Property-guided generation
  • Synthetic accessibility scoring

Molecular Dynamics

GROMACS integration for protein-ligand stability analysis and binding validation.

  • RMSD/RMSF calculations
  • H-bond analysis
  • Multi-step equilibration

Advanced Analytics

Comprehensive clustering, similarity analysis, and interactive 3D visualization.

  • Multiple fingerprint types
  • UMAP/t-SNE dimensionality reduction
  • Real-time 3D rendering

PubChem Integration

Direct access to millions of compounds from the PubChem database.

  • Real-time data fetching
  • Automated property retrieval
  • 3D structure generation

8 Ways MolForge Transforms Your R&D

From target discovery to clinical trials, revolutionize every stage of pharmaceutical development with measurable results.

AI-Driven Target ID

Leverage deep learning trained on 50M+ papers to identify novel drug targets with 90% validation rate.

Ultra-Fast Screening

Screen billions of compounds in hours with GPU-accelerated docking achieving 1M compounds/hour.

De Novo Design

Generate 10K+ novel drug candidates daily using RL and GANs, with 85% achieving drug-likeness.

Predictive ADMET

Achieve 92% prediction accuracy with models trained on 2M+ data points, reducing failures by 60%.

Automated Optimization

Transform hits into clinical candidates 5X faster with multi-objective Bayesian optimization.

MD Validation

Run 100+ GROMACS simulations daily with automated analysis achieving 88% correlation.

Data Integration

Unify 500M+ data points from PubChem, ChEMBL, and proprietary sources with NLP-powered mining.

Collaborative Workflow

Streamline team collaboration with integrated project management and 99.9% uptime.

Ready to Accelerate Discovery?

Join leading pharmaceutical companies and research institutions using MolForge to revolutionize drug discovery.