Spaces:
Sleeping
Sleeping
Update README.md
Browse files
README.md
CHANGED
@@ -62,38 +62,26 @@ This application demonstrates a drug discovery pipeline that allows users to:
|
|
62 |
|
63 |
## License
|
64 |
|
65 |
-
This project is licensed under the terms of the MIT license.
|
66 |
|
67 |
## Attributions and Acknowledgments
|
68 |
|
69 |
### ChEMBL Database:
|
70 |
This project utilizes data from the ChEMBL Database, licensed under the Creative Commons Attribution 4.0 International License (CC BY 4.0).
|
71 |
-
|
72 |
-
Please cite:
|
73 |
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)
|
74 |
. doi:10.1093/nar/gkad1004
|
75 |
|
76 |
### SAFE Encoding
|
77 |
|
78 |
This project uses the SAFE Encoding framework, licensed under the Apache License 2.0.
|
79 |
-
|
80 |
-
Please cite:
|
81 |
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.
|
82 |
ADMET-AI
|
83 |
|
84 |
### This project utilizes the ADMET-AI platform for predicting ADMET properties. ADMET-AI is licensed under the MIT License.
|
85 |
-
|
86 |
-
Please cite:
|
87 |
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
|
88 |
RDKit
|
89 |
|
90 |
### This project uses RDKit: Open-source cheminformatics software.
|
91 |
-
|
92 |
-
Please cite:
|
93 |
RDKit: Open-source cheminformatics. https://www.rdkit.org
|
94 |
-
DOI for the version used: [Insert the specific DOI corresponding to your RDKit version from Zenodo]
|
95 |
-
Original Model
|
96 |
-
This project fine-tunes an original model using data from the ChEMBL Database.
|
97 |
|
98 |
-
[Include any necessary details about the original model, its source, and licensing information.]
|
99 |
|
|
|
62 |
|
63 |
## License
|
64 |
|
65 |
+
This project is licensed under the terms of the MIT license. This project was created for demonstration purposes.
|
66 |
|
67 |
## Attributions and Acknowledgments
|
68 |
|
69 |
### ChEMBL Database:
|
70 |
This project utilizes data from the ChEMBL Database, licensed under the Creative Commons Attribution 4.0 International License (CC BY 4.0).
|
|
|
|
|
71 |
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)
|
72 |
. doi:10.1093/nar/gkad1004
|
73 |
|
74 |
### SAFE Encoding
|
75 |
|
76 |
This project uses the SAFE Encoding framework, licensed under the Apache License 2.0.
|
|
|
|
|
77 |
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.
|
78 |
ADMET-AI
|
79 |
|
80 |
### This project utilizes the ADMET-AI platform for predicting ADMET properties. ADMET-AI is licensed under the MIT License.
|
|
|
|
|
81 |
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
|
82 |
RDKit
|
83 |
|
84 |
### This project uses RDKit: Open-source cheminformatics software.
|
|
|
|
|
85 |
RDKit: Open-source cheminformatics. https://www.rdkit.org
|
|
|
|
|
|
|
86 |
|
|
|
87 |
|