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References from Synthesis-aware generative design in trillion-scale chemical spaces for automated drug discovery. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1038/s41586-023-06221-2
10.1038/s41586-023-06221-2 · External reference
Accelerated chemical science with ai
10.1039/d3dd00213f · 2024 · External reference
10.1038/s41586-026-10265-5
10.1038/s41586-026-10265-5 · External reference
Steering towards safe self-driving laboratories
10.1038/s41570-025-00747-x · 2025 · External reference
10.1038/s41587-019-0224-x
10.1038/s41587-019-0224-x · External reference
Flow network based generative models for non-iterative diverse candidate generation
2021 · External reference
Unresolved reference
External reference
10.1038/s41587-024-02143-0
10.1038/s41587-024-02143-0 · External reference
Autonomous chemical experiments: Challenges and perspectives on establishing a self-driving lab
10.1021/acs.accounts.2c00220 · 2022 · External reference
10.1021/acs.chemrev.4c00055
10.1021/acs.chemrev.4c00055 · External reference
Unresolved reference
External reference
3d molecular generative framework for interaction-guided drug design
10.1038/s41467-024-47011-2 · 2024 · External reference
Structure-based drug design with equivariant diffusion models
10.1038/s43588-024-00737-x · 2024 · External reference
Electron-density-informed effective and reliable de novo molecular design and optimization with ed2mol
10.1038/s42256-025-01095-7 · 2025 · External reference
10.1038/s41586-023-05905-z
10.1038/s41586-023-05905-z · External reference
10.1038/s43588-026-00959-1
10.1038/s43588-026-00959-1 · External reference
Amortized tree generation for bottom-up synthesis planning and synthesizable molecular design
2021 · External reference
10.1002/advs.202206674
10.1002/advs.202206674 · External reference
10.1038/s42256-024-00809-7
10.1038/s42256-024-00809-7 · External reference
Rgfn: Synthesizable molecular generation using gflownets
2024 · External reference
Synflownet: Design of diverse and novel molecules with synthesis constraints
2025 · External reference
Unresolved reference
External reference
Generative ai for navigating synthesizable chemical space
10.1073/pnas.2415665122 · 2025 · External reference
Unresolved reference
External reference
Exploring synthesizable chemical space with iterative pathway refinements
2025 · External reference
10.1038/s41596-021-00659-2
10.1038/s41596-021-00659-2 · External reference
10.1039/d4sc04854g
10.1039/d4sc04854g · External reference
10.1038/s41587-025-02814-6
10.1038/s41587-025-02814-6 · External reference
10.1038/s41586-019-0917-9
10.1038/s41586-019-0917-9 · External reference
10.1038/s41586-021-04220-9
10.1038/s41586-021-04220-9 · External reference
10.1038/s41589-024-01797-w
10.1038/s41589-024-01797-w · External reference
Gflownet foundations
2023 · External reference
Genetic-guided gflownets for sample efficient molecular optimization
2024 · External reference
10.1101/2025.06.14.659707
10.1101/2025.06.14.659707 · External reference
10.1039/d3dd00027c
10.1039/d3dd00027c · External reference
Unresolved reference
External reference
10.1039/d3dd00149k
10.1039/d3dd00149k · External reference
Targeting cancer glutamine dependency with a first-in-class inhibitor of the mitochondrial glutamine transporter slc1a5_var
10.1038/s41467-025-64730-2 · 2025 · External reference
A variant of slc1a5 is a mitochondrial glutamine transporter for metabolic reprogramming in cancer cells
10.1016/j.cmet.2019.11.020 · 2020 · External reference
10.1101/2025.08.31.672525
10.1101/2025.08.31.672525 · External reference
Trajectory balance: Improved credit assignment in gflownets
2022 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
The generation of a unique machine description for chemical structures-a technique developed at chemical abstracts service
10.1021/c160017a018 · 1965 · External reference
10.1021/ci010132r
10.1021/ci010132r · External reference
Unresolved reference
External reference
Uni-dock: Gpu-accelerated docking enables ultralarge virtual screening
10.1021/acs.jctc.2c01145 · 2023 · External reference
10.1101/2023.05.24.542179
10.1101/2023.05.24.542179 · External reference
Colabfold: making protein folding accessible to all
10.1038/s41592-022-01488-1 · 2022 · External reference
Mzdock: a free ready-to-use gui-based pipeline for molecular docking simulations
10.1002/jcc.27390 · 2024 · External reference
Unresolved reference
External reference
Unresolved reference
2020 · External reference
Isolation of mitochondria-associated membranes and mitochondria from animal tissues and cells
10.1038/nprot.2009.151 · 2009 · External reference
