Generative Design Floes Documentation
Documentation for Generative Design Floes created by OpenEye, Cadence Molecular Sciences.
Contents:
- Introduction
- Generative Design Hit-to-Lead Floe Tutorials
- Generative Design Lead Optimization Floe Tutorials
- Tutorial Overview
- Tutorial: Create and Inspect a Reaction and Reagent Database from a SMILES File
- Tutorial: Focused Library – Core Input Floe with XLogP Filtering for Postprocessing
- Tutorial: Focused Library – Core Input with Multiple Attachment Points
- Tutorial: Focused Library – Molecule Input Floe with BlockBuster and XLogP Filtering for Postprocessing
- OpenEye Generative Design Floes - DEV - Documentation
- ESS - Unenumerated Search Database - Export Reagent Collection (Dev Floe)
- 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
- Reaction & Reagent Database - Create from BULK SMILES
- Reaction & Reagent Database - Create from Dataset
- Reaction & Reagent Database - Create from ZINC Download
- Reaction & Reagent Database - Directory Listing
- Reaction & Reagent Database - Export Synthon Collection
- Reaction & Reagent Database - Half Reaction Generator
- Reaction & Reagent Database - Launch Product Enumerations
- Reaction & Reagent Database - Parallel Export Synthon Collection
- Reaction & Reagent Database - Parallel Product SMILES to Retrosynthon Collection
- Reaction & Reagent Database - Product Enumeration Summary
- Reaction & Reagent Database - Product SMILES to Retrosynthon Collection
- Reaction & Reagent Database - Reaction Definition Validator
- Reaction & Reagent Database - Reagent Definition Generator
- Reaction & Reagent Database - Reagent Molecule Classification
- Reaction & Reagent Database - Retrieve Reaction Reagents
- Unenumerated Search Database - Create from Reagent Collection
- Generative Design Floes
- Release Notes