cheminfo - Cube Documentation

• 2D Similarity
  • 2D Fingerprint
  • Clustering
• Cheminformatics
  • Mol Title from String Field
• Ligand Preparation
  • OMEGA
• Logic
  • String Comparison
• Sphere Exclusion
  • Assign Members
  • Generate Heads
• Unclassified
  • Average Precision Report
  • Calculate Average Precision
  • Check Cluster Input
  • Fast Subsearch Report
  • Generate IDs
  • Make 3D Similarity Tiles
  • Make Fast FP Search Collection
  • Make Fast Subsearch Screen Shard
  • Mol Dataset Chunked SMILES Input
  • MolCount Fast SS Screen Shard
  • Molecule Count Report
  • Search Fast FP Screen Shard with SMILES
  • Search Fast SS Screen Shard with Query Molecule
  • Search Fast SS Screen Shard with SMARTS
  • Trim Dataset to N Records
• Utility
  • Write