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README.md
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## License
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This project is licensed under the terms of the MIT license.
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## Attributions and Acknowledgments
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This project utilizes data from the ChEMBL Database, licensed under the Creative Commons Attribution 4.0 International License (CC BY 4.0).
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Zdrazil B, Felix E, Hunter F, et al. The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Research. 2024;52(D1)
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. doi:10.1093/nar/gkad1004
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### SAFE Encoding
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This project uses the SAFE Encoding framework, licensed under the Apache License 2.0.
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Noutahi E, Gabellini C, Craig M, Lim JS, Tossou P. Gotta be SAFE: A New Framework for Molecular Design. arXiv preprint arXiv:2310.10773, 2023.
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### This project utilizes the ADMET-AI platform for predicting ADMET properties. ADMET-AI is licensed under the MIT License.
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Swanson K, Walther P, Leitz J, et al. ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries. bioRxiv. 2023. doi:10.1101/2023.12.28.573531
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RDKit
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### This project uses RDKit: Open-source cheminformatics software.
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RDKit: Open-source cheminformatics. https://www.rdkit.org
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## License
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This project is licensed under the terms of the MIT license.
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## Attributions and Acknowledgments
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This project utilizes data from the ChEMBL Database, licensed under the Creative Commons Attribution 4.0 International License (CC BY 4.0).
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Zdrazil B, Felix E, Hunter F, et al. The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Research. 2024;52(D1)
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. doi:10.1093/nar/gkad1004
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https://www.ebi.ac.uk/chembl/
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### SAFE Encoding
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This project uses the SAFE Encoding framework, licensed under the Apache License 2.0.
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Noutahi E, Gabellini C, Craig M, Lim JS, Tossou P. Gotta be SAFE: A New Framework for Molecular Design. arXiv preprint arXiv:2310.10773, 2023.
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https://github.com/datamol-io/safe
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### This project utilizes the ADMET-AI platform for predicting ADMET properties. ADMET-AI is licensed under the MIT License.
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Swanson K, Walther P, Leitz J, et al. ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries. bioRxiv. 2023. doi:10.1101/2023.12.28.573531
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RDKit
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https://admet.ai.greenstonebio.com/
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### This project uses RDKit: Open-source cheminformatics software.
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RDKit: Open-source cheminformatics. https://www.rdkit.org
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