Generative Design Lead Optimization Floes Documentation

Contents:

• Introduction
• Generative Design Floe Tutorials, Lead Optimization
  • Tutorial Overview
    • Workflow at a Glance
    • Focused Library Floes for Generative Design
  • Tutorial: Focused Library – Core Input Floe with XLogP Filtering for Postprocessing
    • Enumerate Reagents for an Input Core Using a Built Database: Single Site Enumeration
    • Enumerate Reagents for an Input Core Using a Built Database: Multiple Site Enumeration
  • Tutorial: Focused Library – Molecule Input Floe with BlockBuster and XLogP Filtering for Postprocessing
    • Enumerate Reagents for an Input Molecule Using a Built Database
    • Visualize and Filter Enumerated Products on the Analyzed Page

Floe Reference Documentation

• Focused Library - Core Input
• Focused Library - Molecule Input
• Focused Library - Reagent Join
• Focused Library - Synthon Analogs
• Generative Structure Floe
• Generative Structure Floe - Site selection
• Generative Structure Indexing - Graft Database Generator
• Generative Structure Indexing - MMP Molecule Indexer
• Generative Structure Indexing - MMP Transform Extractor

Release Notes

• Generative Design Floes Release Notes

Legacy Release Notes

• Release Notes