Generative Design Floes Documentation

Documentation for Generative Design Floes created by OpenEye Scientific Software, Inc.

Structure Generative Design Floes

Contents:

• Generative Structure Floes - 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
  • MaaS Available Analogs
  • MaaS Resource List
  • MaaS Substructure Search
  • Reaction & Reagent Database - Create from Dataset
  • Reaction & Reagent Database - Create from SMILES
  • Reaction & Reagent Database - Create from ZINC Download
  • Reaction & Reagent Database - Directory Listing
  • Reaction & Reagent Database - Half Reaction Generator
  • Reaction & Reagent Database - Launch Product Enumerations
  • Reaction & Reagent Database - Reaction Definition Validator
  • Reaction & Reagent Database - Reagent Definition Generator
  • Reaction & Reagent Database - Reagent Molecule Classification
  • Reaction & Reagent Database - Retrieve Reaction Reagents
  • _R&R Database Single Reaction Enumerator v0.7.0b20
• Release Notes
  • v0.7.0 July 2023
  • v0.6.0 December 2022 (Orion Release 2022.4.1)
  • v0.5.1 September 2022 (Orion Release 2022.3.1)
  • v0.5.0 July 2022 (Orion Release 2022.2.1)
  • v0.4.0 December 2021 (Orion Release 2021.2.1)
  • v0.3.2 July 2021 (Orion Release 2021.1.2)
  • v0.3.1 June 2021 (Orion Release 2021.1)
  • v0.2.14 November 2020
  • v0.2.13 November 2020
  • v0.2.12 August 2020
  • v0.2.11 May 2020

• Index