From intuition to AI: evolution of small molecule representations in drug discovery

Miles McGibbon, Steven Shave, Jie Dong, Yumiao Gao, Douglas R Houston, Jiancong Xie, Yuedong Yang, Philippe Schwaller, Vincent Blay

Open source

DOI: 10.1093/bib/bbad422
Published: 2023-11-22
Container: Briefings in Bioinformatics
Publisher: Oxford University Press (OUP)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1093/bib/bbad422,
  title = {From intuition to AI: evolution of small molecule representations in drug discovery},
  author = {Miles McGibbon and Steven Shave and Jie Dong and Yumiao Gao and Douglas R Houston and Jiancong Xie and Yuedong Yang and Philippe Schwaller and Vincent Blay},
  year = {2023},
  journal = {Briefings in Bioinformatics},
  doi = {10.1093/bib/bbad422},
  url = {https://doi.org/10.1093/bib/bbad422}
}

RIS

TY  - JOUR
TI  - From intuition to AI: evolution of small molecule representations in drug discovery
AU  - Miles McGibbon
AU  - Steven Shave
AU  - Jie Dong
AU  - Yumiao Gao
AU  - Douglas R Houston
AU  - Jiancong Xie
AU  - Yuedong Yang
AU  - Philippe Schwaller
AU  - Vincent Blay
PY  - 2023
JO  - Briefings in Bioinformatics
DO  - 10.1093/bib/bbad422
UR  - https://doi.org/10.1093/bib/bbad422
ER  -

APA

McGibbon, M., Shave, S., Dong, J., Gao, Y., Houston, D. R., Xie, J., Yang, Y., Schwaller, P., & Blay, V. (2023). From intuition to AI: evolution of small molecule representations in drug discovery. Briefings in Bioinformatics. https://doi.org/10.1093/bib/bbad422

Source records

crossref · retrieved 2026-09-26T20:15:50.967Z