Chen C.

- Developed novel computational methods for exploring ultra-large chemical space using shape-based similarity (1 publication). Method was applied on internal pipeline programs and led to multiple differentiated hits. - Co-developed Lab-in-the-loop platform for accelerated molecule design and triaging. - (Co)-developed various in-house software packages and workflows for streamlining data processing. - Trained computational chemistry group in python and git. - Supported various computational chemistry needs of pipeline programs.

- Automated model training pipeline from scratch to support weekly model updates. - Made various improvements to in-house ML model codebase. - Built and tuned in-house ML models: custom loss functions, realistic train-test split, results visualization. - Data curation: querying from commercial databases, data processing and analysis. - Communicated to model end-users about application and limitations of models.

- Data-driven molecule design and synthesis in lead optimization space. - Designed and synthesized multiple key molecules with differentiated ADMET and DDI profiles toward delivery of a preclinical candidate. - Hypothesis-driven scaffold-hopping on lead compounds to establish minimum pharmacophore and SAR; streamlined synthetic routes to drive the development of bivalent degraders. - Structure-based drug design through docking, QM calculation, detailed SAR analysis, etc.; hit-finding through virtual screening (2D, 3D, pharmacophore, FP-based similarity search). - Applied and optimized deep learning models for molecular property predictions in drug discovery.

Catalytic C-H bond functionalization has been one of the Holy Grails of organic chemistry because it imparts site selectivity and atom efficiency in the synthesis of chemicals ranging from commodity materials to high-value pharmaceutical ingredients. My research focused on the transition metal-catalyzed site-selective dehydrogenative silylation of unactivated (sp2)C-H bonds of alkenes, arenes, and heteroarenes. I developed novel catalytic systems for the practical silylation of complex molecules, including APIs (active pharmaceutical ingredients) of some of the most-prescribed drugs. In addition, I conducted detailed mechanistic studies on the silylation system to allow rational design of better catalysts. ➢ 5 first-author papers (including one in Science); ➢ 1 first-author Chemical Reviews article; ➢ 2 papers by mentees; ➢ 1 patent application; ➢ 2 conference oral presentations.

Trained three undergraduate and one Master's students in lab skills and helped them design and manage their own projects. Two students worked on functionalization of arylsilanes. One worked on polymer synthesis and borylation of arenes. One worked on the hydrogenation and hydrosilylation of biomass.

• Supervised undergraduate level organic chemistry lab sessions; • Held office hours weekly; • Graded lab reports, quizzes, and exams. Besides one-on-one tutoring during office hours, I enjoyed troubleshooting with the students in the lab.

Collaborated with an interdisciplinary team of graduate students to design less hazardous and more bio-friendly 3D-printing resins and technology.

My research in the group of Prof. Maurice Brookhart encompasses: • Synthesis and characterization of novel conjugated polymers relevant to photovoltaic (PV) devices; • Design and synthesis of pincer complexes for alkane dehydrogenation, which is one of the two reactions in alkane metathesis, a process that upgrades low molecular weight hydrocarbon to diesel fuels; • Catalytic reduction of amides and esters by silanes under mild conditions with high functional group tolerance. ➢ Four first-author publications; ➢ One second-author paper; ➢ Two poster presentations. ➢ Chemistry skills: Schlenk technique; 2-D NMR spectroscopy; pressure reactors.

My research in the lab of Prof. Shawn Ahmed focuses on identification of proteins and genes involved in alternative lengthening of telomeres (ALT) in C. elegans. We found that both a DNA damage response complex (9-1-1 complex) and a telomere capping protein (POT-2) modulate the activity of ALT. Because those proteins in C. elegans have analogues in human cells, we believe that the findings may guide studies relevant to the etiology and treatment of human cancers that rely on the ALT pathway. ➢ One first-author paper in PNAS; ➢ One third-author paper. ➢ Biochemistry skills: Fluorescence spectroscopy (DAPI staining); Southern blotting; Microinjection into C. elegans gonads.