GlaxoSmithKline Medicines Research Centre, Stevenage, UK.
Methods Mol Biol. 2022;2390:503-521. doi: 10.1007/978-1-0716-1787-8_23.
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.
匹配分子对分析（MMP）是药物发现中先导优化阶段非常重要的工具。这个工具在先导优化阶段的有用性已经在几篇同行评议的文章中讨论过了。MMP 在分子生成中的应用相对较新。这带来了一些挑战，其中之一是需要将上下文信息编码到转换中。在本章中，我们将讨论如何将 MMP 用作分子生成方法，以及它与其他分子生成器相比如何。
