Exploring Novel Fentanyl Analogues Using a Graph-Based Transformer Model
Author:
Funder
the National Natural Science Foundation of China
Publisher
Springer Science and Business Media LLC
Link
https://link.springer.com/content/pdf/10.1007/s12539-024-00623-0.pdf
Reference41 articles.
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3. O’Boyle N, Dalke A (2018) DeepSMILES: an adaptation of SMILES for use in machine-learning of chemical structures. https://doi.org/10.26434/chemrxiv.7097960.v1
4. Krenn M, Häse F, Nigam A et al (2020) Self-referencing embedded strings (SELFIES): a 100% robust molecular string representation. Mach Learn Sci Technol. https://doi.org/10.1088/2632-2153/aba947
5. Heller SR, McNaught A, Pletnev I et al (2015) InChI, the IUPAC international chemical identifier. J Cheminform 7:23. https://doi.org/10.1186/s13321-015-0068-4
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