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REINVENT4 Adapted

Generate novel drug-like molecules using AstraZeneca's REINVENT4 AI platform integrated with your QSAR models

Quick Create Advanced

Getting Started with REINVENT4

Train a QSAR Model

First, build a QSAR model using your training data in the QSAR section.

Create Generation Job

Use Quick Create for fast setup or Advanced Create for full customization.

Monitor Progress

Track job status, view generated molecules, and analyze results in real-time.

Analyze & Export

Filter molecules, favorite top candidates, and export results in multiple formats.

Reference

REINVENT 4: Modern AI-driven generative molecule design

Loeffler, H.H., He, J., Tibo, A. et al. Reinvent 4: Modern AI-driven generative molecule design. J Cheminform 16, 20 (2024).

View Original Paper DOI: 10.1186/s13321-024-00812-5

REINVENT4 Not Installed

REINVENT4 is not installed on this server. Jobs will fail with an installation error. Please contact your system administrator to install REINVENT4 before creating jobs.

Installation guide available in: REINVENT4_INSTALLATION_REQUIRED.md

Quick Create Job

Fast job creation with preset configurations

Quick Start

Advanced Job Creation

Full control over all generation parameters

Advanced Create

My Jobs

View and manage all REINVENT4 jobs

View Jobs

Configurations

Manage reusable REINVENT4 configuration templates

View Configurations

Total Jobs

0

Running

0

Completed

0

Total Molecules

0

Recent Jobs View All

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Available QSAR Models View All

No QSAR models available. Create a project first!

Create QSAR-X Project

My Configurations View All

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Public Configurations

No public configurations available yet.