"synthetic accessibility" Papers

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CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs

Bowen Gao, Yanwen Huang, Yiqiao Liu et al.

NEURIPS 2025

Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs

Bowen Gao, Haichuan Tan, Yanwen Huang et al.

ICLR 2025

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints

Miruna Cretu, Charles Harris, Ilia Igashov et al.

ICLR 2025arXiv:2405.01155
20
citations

Projecting Molecules into Synthesizable Chemical Spaces

Shitong Luo, Wenhao Gao, Zuofan Wu et al.

ICML 2024arXiv:2406.04628
22
citations