Molecule Ideation Using Matched Molecular Pairs

Autor: Sandeep, Pal, Peter, Pogány, James Andrew, Lumley
Rok vydání: 2021
Předmět:
Zdroj: Methods in molecular biology (Clifton, N.J.). 2390
ISSN: 1940-6029
Popis: Matched Molecular Pair Analysis (MMP) is a very important tool during the lead optimization stage in drug discovery. The usefulness of this tool in the lead optimization stage has been discussed in several peer-reviewed articles. The application of MMP in Molecule generation is relatively new. This brings several challenges one of them being the need to encode contextual information into the transforms. In this chapter, we discuss how we use MMPs as a molecule generation method and how does it compare with other molecular generators.
Databáze: OpenAIRE