PostEra

PostEra is a cutting-edge application designed to facilitate advanced synthesis planning and retrosynthesis tasks. It offers users a comprehensive suite of tools to streamline the process of identifying potential synthetic pathways for complex molecules. The app provides both interactive and automated modes, allowing users to engage with its functionalities in a way that suits their workflow.

Key features of PostEra include its ability to generate multiple one-step strategies for retrosynthesis, which can be combined to leverage the strengths of each approach. Users can explore these strategies through an interactive interface, where they can visualize and manipulate molecular structures and reaction pathways. This interactive mode allows for manual intervention, enabling users to add or remove precursors based on their expertise. Additionally, PostEra supports automatic multi-step planning, utilizing algorithms like Monte Carlo Tree Search (MCTS) and Retro* to generate comprehensive retrosynthesis trees.

PostEra also integrates various prediction modules, which can be accessed via a web-based interface or through application programming interfaces (APIs). These modules help in evaluating the chemical validity of proposed reactions and provide insights into reaction conditions and outcomes. The app's modular design ensures flexibility and ease of integration with other tools, making it a valuable resource for chemists and researchers involved in synthesis planning.