Generative Design Floes Documentation¶
Documentation for Generative Design Floes created by OpenEye Scientific Software, Inc.
Structure Generative Design Floes
Contents:
- Generative Structure Floes - Documentation
- Dataset to Reaction & Reagent Database
- Focused Library - Core Input
- Focused Library - Molecule Input
- Focused Library - Reagent Join
- Focused Library - Synthon Analogs
- Generative Structure Floe
- Generative Structure Floe - Site selection
- Graft Database Generator
- Half Reaction Generator
- MMP Molecule Indexer
- MMP Transform Extractor
- MaaS Available Analogs
- MaaS Resource List
- MaaS Substructure Search
- Reaction & Reagent Database Directory
- Reaction & Reagent Database Validator
- Reagent Definition Generator
- Reagent Molecule Classification
- Retrieve Reaction Reagents
- SMILES File to Reaction & Reagent Database
- ZINC Download to Reaction & Reagent Database
- Release Notes