Introduction

The ChemInfo Hit ID floes prepare collections for fast substructure search, count the molecules in those collections, and search the collections for similar molecules. The Prepare Collection for Fast Similarity or Substructure Search from Dataset and Prepare Collection for Fast Similarity or Substructure Search from File Floes prepare collections for fast similarity or substructure searches to screen molecules for filtering characteristics. They can then be subsequently searched more quickly with the Fast Substructure Search with an MDL Query Floe or the Fast Substructure Search with SMARTS Floe. They also generate collections with multiple types of fingerprints, so that they can be searched in the Fast Fingerprint Similarity Search Floe. The Count Molecules in Fast Substructure Search Collection Floe does just that for the prepared collections.