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synthetic accessibility

4 papers

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Also known as

SA

Co-occurring keywords · papers mentioning both

chemical space (1) de novo design (1) proxy reward (1) molecular structure (1) reaction embedding (1) docking score (1) atomic gflownets (1) drug-likeliness (1) structure-based drug design (1) virtual screening (1)

Papers

Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation ICML 2025 Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs ICLR 2025 Path-Aware and Structure-Preserving Generation of Synthetically Accessible Molecules ICML 2022 Learning to Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning ICML 2020