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What is Multi-Objective MCTS for Retrosynthesis about?

This document presents a novel multi-objective search algorithm for retrosynthesis planning using Monte Carlo Tree Search (MCTS). The algorithm allows for the integration of diverse objectives without requiring separate model training, demonstrating improved performance over traditional single-objective methods. The study benchmarks the algorithm across various retrosynthesis experiments, highlighting its ability to provide a more diverse set of solutions while maintaining flexibility in adapting to new obj

Author

Usman Ali

Language

EN