Comprehensive CADD Platform for Pharmaceutical Research

Powerful tools for drug discovery, molecular simulation, and collaborative research. Accelerate your research with our integrated suite of CADD solutions.

CADD Software Suite

Comprehensive computer-aided drug design tools for every stage of the discovery pipeline

Virtual Screening Pro

High-throughput virtual screening of compound libraries against target proteins using advanced algorithms.

  • Multi-target screening
  • ML-based scoring functions
  • Cloud-based processing
  • 50M+ compound library

Molecular Docking Elite

Precise molecular docking with flexible receptor handling and advanced scoring methodologies.

  • Flexible side chains
  • Water molecule handling
  • MM/GBSA scoring
  • Ensemble docking

QSAR Modeler

Build and validate quantitative structure-activity relationship models with machine learning integration.

  • 2000+ molecular descriptors
  • Automated model selection
  • Applicability domain analysis
  • External validation tools

ADMET Predictor

Comprehensive absorption, distribution, metabolism, excretion, and toxicity prediction platform.

  • Blood-brain barrier penetration
  • CYP450 metabolism prediction
  • Toxicity endpoint screening
  • Human pharmacokinetics

Pharmacophore Designer

Create and validate pharmacophore models for ligand-based virtual screening and scaffold hopping.

  • Automated model generation
  • 3D pharmacophore alignment
  • Shape-based screening
  • Scaffold hopping tools

Fragment-Based Design

Fragment screening and linking tools for designing novel compounds from small molecular fragments.

  • Fragment library management
  • Growing and linking algorithms
  • Synthetic accessibility scoring
  • 3D fragment docking

Molecular Simulation Tools

High-performance computing solutions for molecular dynamics, quantum mechanics, and pharmacokinetics

Molecular Dynamics Pro

Advanced molecular dynamics simulations with GPU acceleration and enhanced sampling methods.

  • GPU-accelerated simulations
  • Enhanced sampling methods
  • Free energy calculations
  • Membrane protein support

Quantum Mechanics Suite

Ab initio and DFT calculations for electronic structure, reaction mechanisms, and spectroscopy.

  • DFT with dispersion correction
  • TD-DFT for excited states
  • Reaction pathway analysis
  • Spectroscopic property prediction

PK/PD Modeler

Pharmacokinetic and pharmacodynamic modeling for dose prediction and clinical translation.

  • Compartmental modeling
  • Population PK/PD analysis
  • Clinical trial simulation
  • Dose optimization tools

Cloud HPC Platform

High-performance computing infrastructure for large-scale simulations and data processing.

  • On-demand GPU clusters
  • Automated job scheduling
  • Data management tools
  • Cost optimization

Ready to Accelerate Your Research?

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Collaboration Hub

Integrated tools for team collaboration, data sharing, and project management

Project Management

Organize research projects, assign tasks, and track progress across your entire team.

  • Kanban boards & Gantt charts
  • Milestone tracking
  • Resource allocation
  • Integration with tools

Secure Data Sharing

Share research data securely with controlled access permissions and version tracking.

  • Role-based access control
  • Version history & rollback
  • Audit trails
  • Encrypted data transfer

Version Control System

Git-based version control specifically designed for computational chemistry workflows.

  • Chemical structure diffing
  • Parameter file tracking
  • Merge conflict resolution
  • Automated testing

Platform Comparison

Choose the right plan for your research needs

Feature Basic Professional Enterprise
Virtual Screening
Molecular Dynamics Limited
Quantum Mechanics Basic
Team Collaboration 2 users 10 users Unlimited
Cloud Storage 10 GB 100 GB 1 TB+
HPC Access Limited
API Access Read-only
Price/month $99 $499 Custom