Diversity Library
Expanding Chemical Possibilities
The Diversity Library feature in SYNTHIA™ Retrosynthesis Software allows chemists to build a library of up to 384 diverse analogues around a core structure derived from a parent molecule. This innovative analysis type helps assess which analogue compounds are easily accessible from a given synthetic pathway by selecting starting materials to substitute and create points of diversity. SYNTHIA™ utilizes its extensive database of reaction rules and forward-synthesis algorithms to ensure that the generated library is chemically correct and synthesizable.
Starting with an automatic retrosynthesis analysis, users can indicate which starting materials to substitute, enabling the creation of diverse analogues. The software searches for commercially available or published starting materials compatible with the reaction conditions, building a comprehensive library of analogue molecules. This feature not only enhances the ability to explore chemical space but also supports efficient and targeted synthesis planning.
To get started, users can follow a step-by-step guide to set up a Diversity Library analysis, experimenting with different molecules to see how changes in analysis settings affect results. For example, using the SMILES string for 4-(1-Piperidinyl)quinazoline, users can explore how SYNTHIA™ generates diverse analogues by substituting different starting materials. Find more information in the Learning Center accessible inside Synthia.
This feature empowers chemists to quickly generate and analyze a wide range of analogue compounds, facilitating the discovery of new chemical entities and optimizing synthetic strategies.
