The full names of cheminformatics descriptors

A New Post

• Softwares - Molecular Descriptors
• List of Dragon descriptors - PDF
• Full name of MACCS key is: “Molecular ACCess System (MACCS) keys” [1]
• Simplified Molecular Input Line Entry System (SMILES) [2]
  • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
• SMiles ARbitrary Target Specification [2]

[1] Database fingerprint (DFP): an approach to represent molecular databases

[2] MOLSIS