Ms. Asma Rehman | ML in Chemistry | AI & Machine Learning Award

Published on by AI Data Scientist

Ms. Asma Rehman | ML in Chemistry | AI & Machine Learning Award 

Accomplished Researcher, University of Agriculture Fasilabad, Pakistan

Ms. Asma Rehman is an accomplished researcher and academic from Pakistan, currently affiliated with the University of Agriculture Faisalabad, where she specializes in Green Chemistry, Organocatalysis, Polymer Degradation, and Artificial Intelligence Applications in Chemical Process Modeling.  Ms. Rehman’s research interests are strongly interdisciplinary, focusing on the integration of Artificial Intelligence and Data Science techniques with Green Chemistry principles to develop predictive models for catalytic reactions, optimize degradation processes of polymers like polystyrene, and design sustainable, energy-efficient pathways for environmental remediation. Her scientific vision aims to utilize machine learning algorithms for reaction kinetics modeling and to establish scalable frameworks for waste management, industrial pollution control, and material upcycling. In her academic journey, she has co-authored several peer-reviewed journal articles published in globally recognized outlets such as RSC Advances and AI (MDPI), highlighting her contributions to both computational and experimental chemistry. Her major research contributions include AI-assisted photocatalysis for wastewater treatment, organocatalyst design for green synthetic chemistry, and studies combining photoredox catalysis with sustainable material science. Ms. Rehman’s technical proficiency encompasses a diverse range of research skills, including statistical data analysis, reaction kinetics modeling, computational chemistry tools, spectral characterization, and data-driven optimization frameworks. Her ongoing work focuses on merging Bayesian inference models and supervised machine learning for predictive chemical engineering applications, reflecting her capability to adapt AI tools within the scientific process. She has been recognized within her institution for her academic excellence and research initiative, mentoring undergraduates and participating in interdisciplinary academic forums that align with the United Nations Sustainable Development Goals (SDGs).

Profile: ORCID

Featured Publications

  • Rehman, A., Iqbal, M. A., Haider, M. T., & Majeed, A. (2025). Artificial intelligence-guided supervised learning models for photocatalysis in wastewater treatment. AI, 6(10), Article 0258. Citations: 6

  • Ahad, A., Majeed, A., Zafar, A., Iqbal, M. A., Ali, S., Batool, M., Rehman, A., & Manzoor, F. (2025). A green marriage: The union of theophylline’s catalytic activity and healing potential. RSC Advances, 15(9), 8479A. Citations: 10

  • Manzoor, F., Majeed, A., Ibrahim, A. H., Iqbal, M. A., Rehman, A., Aziz, S., Shahzadi, A., Fatima, S., Ejaz, S., & Zafar, M. S. (2025). Nickel-photoredox catalysis: Merging photons with metal catalysts for organic synthesis. RSC Advances, 15(12), 4650E. Citations: 8

  • Rehman, A., Iqbal, M. A., & Majeed, A. (2025). Machine learning-assisted modeling of polystyrene degradation using green catalysts for sustainable waste valorization. Journal of Environmental Chemical Engineering, 13(7). Citations: 5

  • Rehman, A., Manzoor, F., & Majeed, A. (2025). Data-driven optimization of organocatalytic pathways for eco-friendly polymer processing. Green Chemistry Letters and Reviews, 18(4). Citations: 4

Ndivhuwo Raymond Tshiluka | Computational Organic Chemistry | Young Scientist Award

Published on by AI Data Scientist

Dr. Ndivhuwo Raymond Tshiluka | Computational Organic Chemistry | Young Scientist Award

Lecturer at University of Johannesburg, South Africa

Dr. Ndivhuwo Raymond Tshiluka is a distinguished Lecturer and Researcher in the Department of Chemical Sciences at the University of Johannesburg. With a strong academic background in synthetic medicinal organic chemistry, he has contributed significantly to the field of drug synthesis and organic chemistry. His research focuses on the synthesis and biological evaluation of novel anti-diabetic drugs, organic reaction mechanisms, and natural product chemistry. Dr. Tshiluka has actively participated in various academic conferences and has received several prestigious awards for his contributions to scientific research and education.

Profile

Orcid

Education

Dr. Tshiluka obtained his PhD in Medicinal Organic Chemistry from the University of Venda (2019-2022), where his thesis focused on synthesizing and evaluating novel potential anti-diabetic drugs. His MSc (2017-2018) in the same field was completed with distinction, concentrating on the synthesis of glitazone analogs. Prior to that, he earned his BSc Honours (2016) and BSc in Chemistry and Mathematics (2013-2015) from the University of Venda. His academic journey has been marked by excellence, receiving recognition for his research and presentation skills during his studies.

Experience

Currently serving as a Lecturer and Researcher at the University of Johannesburg (2024-present), Dr. Tshiluka teaches general and organic chemistry at undergraduate and postgraduate levels. His responsibilities include curriculum development, student supervision, and publishing high-impact research articles. Previously, he worked as a Postdoctoral Researcher at the Council of Scientific and Industrial Research (CSIR) in 2023, focusing on the synthesis and production of mycotoxins, as well as natural product extraction and analysis. He has also held teaching positions at the University of Venda (2021-2022), where he was involved in tutoring and lecturing chemistry courses.

Research Interests

Dr. Tshiluka’s research interests encompass synthetic organic chemistry, drug synthesis, medicinal chemistry, organometallic chemistry, stereochemistry, and polymer chemistry. His work in metabolite studies, food safety, and natural product chemistry has contributed to the advancement of pharmaceutical and agricultural sciences. His recent research has focused on the synthesis of potential anti-diabetic agents, enzyme inhibition studies, and computational modeling to predict drug activity and toxicity.

Awards

Dr. Tshiluka has received numerous awards in recognition of his academic excellence and research contributions. He is a recipient of the NRF Thuthuka Grantholder (2025-2031), the NRF Postdoctoral Scarce Skills Award Grant (2023), and the NRF Innovation Masters & Doctoral Bursaries (2017-2021). Additionally, he was awarded the Sasol Inzalo Foundation Scholarship (2017-2022) and the NRF Post-Doctoral Fellowship Grant (2023-2024). His academic achievements were further acknowledged when he won the 3rd Best Oral Honors Presentation Award at the University of Venda in 2016.

Publications

Dr. Tshiluka has published several impactful research papers in reputed journals. Some of his key publications include:

Tshiluka, N. R.; Bvumbi, M. V.; Ramaite, I. I.; Mnyakeni-Moleele, S. “Synthesis of Some New 5-Arylidene-2,4-Thiazolidinedione Esters.” Arkivoc, 2021, 161-175.

Tshiluka, N. R.; Bvumbi, M. V.; Tshishonga, U.; Mnyakeni-Moleele, S.S. “Synthesis of New 5-Benzylidene Hydantoin Esters.” Journal of Chemical Research, 2022, 14(6), 1-7.

Tshiluka, N. R.; Bvumbi, M. V.; Mnyakeni-Moleele, S.S. “Synthesis, Cytotoxicity and α-Glucosidase Inhibition of New Glitazone and Rhodanine Derivatives.” Russian Journal of Bioorganic Chemistry, 2023, 49, 384-389.

Tshiluka, N. R.; Bvumbi, M.V.; Mbedzi, D.T.; Mnyakeni-Moleele, S.S. “In Vitro α–Glucosidase Inhibition, Cytotoxicity, SAR, Swiss, ADME Prediction and Molecular Docking Study of New N–Substituted Hydantoin Derivatives.” ChemistryOpen, 2025, e202400119, 1-13.

Mokgopa, K.P.; Adeyinka, S.S.; Mnyakeni-Moleele, S.S.; Tshiluka, N. R. “A Computational Study of New Glitazones-Sulphonylureas Hybrids as Potential Antidiabetic Agents.” ChemistrySelect, 2025, 10(3), 1-15.

Conclusion

Dr. Ndivhuwo Raymond Tshiluka is a dedicated academic and researcher whose work in synthetic medicinal organic chemistry has made significant contributions to the field of drug development and natural product chemistry. Through his research, publications, and teaching, he continues to shape the future of organic chemistry while mentoring young scientists. His achievements and recognition in academia underscore his commitment to excellence in scientific research and education.