Enhancing multifunctional drug screening <i>via</i> artificial intelligence
Alpha-Pharm3D, a multifunctional deep learning method, enables bioactivity predictions, elucidates PH4 fingerprints, and facilitates PH4-potential drug screening by explicitly incorporating geometric constraints.
Authors
- Zhenquan Hu (ORCID: https://orcid.org/0000-0001-6906-2611)
- Junlin Dong
- Shuguang Yuan (ORCID: https://orcid.org/0000-0001-9858-4742)
- Horst Vogel (ORCID: https://orcid.org/0000-0001-9695-8894)
- Bing Wang (ORCID: https://orcid.org/0000-0003-0800-0518)
- Shiyu Wang (ORCID: https://orcid.org/0000-0002-8201-8022)
- Chenyang Wu (ORCID: https://orcid.org/0009-0009-5205-4098)
- Tao Lü (ORCID: https://orcid.org/0000-0003-2917-6029)
- Marc Xu (ORCID: https://orcid.org/0009-0005-9158-8528)
- Wenjin Zhan
Institutions
- China Pharmaceutical University (CN)
- Shenzhen University (CN)
- Association Fribourgeoise des Psychologues (CH)
- Shenzhen Institutes of Advanced Technology (CN)
- Shenzhen Institute for Drug Control (CN)
- Shenzhen Technology University (CN)
- University of Chinese Academy of Sciences (CN)
- École Polytechnique Fédérale de Lausanne (CH)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dd00082c
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00