conftrace_

chemical space

7 papers

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Co-occurring keywords · papers mentioning both

molecular generation (4) molecule generation (2) drug discovery (2) drug design (2) generative model (2) molecular optimization (2) synthetic accessibility (1) de novo design (1) large language model (1) axiomatic analysis (1)

Papers

Domain-Adapted Diffusion Model for PROTAC Linker Design Through the Lens of Density Ratio in Chemical Space ICML 2025 Efficient Evolutionary Search Over Chemical Space with Large Language Models ICLR 2025 Navigating Chemical Space with Latent Flows NeurIPS 2024 How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules ICLR 2023 Barking up the right tree: an approach to search over molecule synthesis DAGs NeurIPS 2020 Guiding Deep Molecular Optimization with Genetic Exploration NeurIPS 2020 Learning to Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning ICML 2020