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Artificial Intelligence in Health EBNA1 inhibitors against EBV in NPC

their effectiveness in identifying active compounds while 3 August 2023) at the Swinburne Sarawak Postgraduate
minimizing false positives. Despite the moderate recall, Research Conference 2023, (location: Swinburne
their balanced F1 scores and moderate accuracy indicate University of Technology Sarawak).
good performance. Similarly, the CSE-SMO-BF-LRE
QSAR model captured the relationship between compound References
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Acknowledgments 2010;14(3):315-324.
L.C.W. was supported by the Swinburne Sarawak doi: 10.1016/j.cbpa.2010.03.020
Postgraduate Scholarship.
4. Hansch C, Fujita T. p-σ-π analysis. A method for the
Funding correlation of biological activity and chemical structure.
J Am Chem Soc. 1964;86(8):1616-1626.
This work was supported by the MAKNA Cancer Research doi: 10.1021/ja01062a035
Award 2021 given to Xavier Wezen Chee.
5. Chatterjee A. 27 - Computational methods and tools for
Conflict of interest sustainable and green approaches in drug discovery. In:
Banik BK, editor. Green Approaches in Medicinal Chemistry
The authors declare they have no competing interests. for Sustainable Drug Design. Amsterdam: Elsevier; 2020.
p. 965-988.
Author contributions
doi: 10.1016/B978-0-12-817592-7.00027-7
Conceptualization: Xavier Wezen Chee
Formal analysis: Lavinia Clarisa Wicklem, Bee Theng Lau, 6. Gupta S, Basant N, Singh KP. Nonlinear QSAR modeling for
predicting cytotoxicity of ionic liquids in leukemia rat cell
Xavier Wezen Chee line: An aid to green chemicals designing. Environ Sci Pollut
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Methodology: Siaw San Hwang, Bee Theng Lau, Mrinal
Bhave, Xavier Wezen Chee doi: 10.1007/s11356-015-4526-3
Writing – original draft: Lavinia Clarisa Wicklem 7. Gomes MN, Braga RC, Grzelak EM, et al. QSAR-driven
Writing – review & editing: All authors design, synthesis and discovery of potent chalcone
derivatives with antitubercular activity. Eur J Med Chem.
Ethics approval and consent to participate 2017;137:126-138.

Not applicable. doi: 10.1016/j.ejmech.2017.05.026
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of influenza a virus neuraminidase inhibitors using support
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Availability of data doi: 10.1007/s11030-015-9641-z

Data will be made available from the corresponding 9. Luo M, Wang XS, Roth BL, Golbraikh A, Tropsha A.
authors upon reasonable request. Application of quantitative structure-activity relationship
models of 5-HT1A receptor binding to virtual screening
Further disclosure identifies novel and potent 5-HT1A ligands. J Chem Inf
The authors would like to disclose that part of the findings Model. 2014;54(2):634-647.
included in the manuscript have been presented on (date: doi: 10.1021/ci400460q

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