Project Deep Learning of Quantum Information for Drug Research Program John Martinson Honors College Research Programs Term Fall 2023 Status Closed Research Area Drug Discovery and Development Description What is changing the drug discovery and development field lies in (1) explosion of data, including all -mics areas and molecular interaction measurements at all levels due to high-throughput screening and years of data accumulation and research investment; (2) astonishing development in computing and data access. Yet, the current bioinformatics and data-mining approaches fail to embrace the richness of the data on the molecular level. The state-of-the-art methods have not advanced over the years. A breakthrough moment is expected and our methodology might be one of such drivers. We have been developing a novel way to study molecular interactions (unpublished yet), which integrates quantum chemistry, manifold embedding, and neural network. We seek curious minds and unbridled spirits to advance and apply this method into finding new drugs by computation. Supervisor Tonglei Li Mentor Type of work required 1. Computer programming (mainly python)
2. Running quantum chemistry calculation
3. Literature search
4. Data mining
5. Presentation and report writing Websites https://www.ipph.purdue.edu/faculty/tonglei Qualifications Good understanding of chemistry and vivid programmer (python, C/C++, Linux); self-driven, curious, forthcoming; a good scientific writer Credit Hours 4 Weekly Hours 12 (estimated)