Kemal Ozalp, Ph.D.

Kemal Ozalp, Ph.D.

Drug Discovery Data Scientist

Publications

You can also find my articles on my Google Scholar profile.

The Goldilocks Paradigm: Comparing Classical Machine Learning, Large Language Models, and Few-Shot Learning for Drug Discovery Applications

Published in Nature Communications, 2024

Paper on comparing the performance of classical ML, few-shot learning and transformer-based LLM (MolBART) at varying dataset sizes

Recommended citation: Snyder, S. et. al. (2024). "The Goldilocks Paradigm: Comparing Classical Machine Learning, Large Language Models, and Few-Shot Learning for Drug Discovery Applications." Nature Communications. 1(3).

The hydrodynamics of metachronal paddling in brine shrimp.

Published in , 2024

Paper on the metachronal paddling of saltwater zooplankton, brine shrimp, using computational fluid dynamics

Recommended citation: Senter, M. D. et. al. (2024). "The hydrodynamics of metachronal paddling in brine shrimp." TBD. 1(3).

Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors

Published in Journal of Chemical Information and Modeling, 2024

Paper on using sequential contrastive and deep learning models to identify selective BChE inhibitors for the therapeutic treatment of Alzheimer’s Disease

Recommended citation: Ozalp, M.K., Vignaux, P.A., Puhl, A.C., Lane, T.R., Urbina, F. and Ekins, S., 2024. Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of Chemical Information and Modeling. https://pubs.acs.org/doi/abs/10.1021/acs.jcim.4c00397