Ian M. Pendleton Ph. D.
Vertex Pharmaceuticals Incorporated
Data and Computational Sciences
Phone: (313) 365–0270
ian ~at~ pendletonian.com

PERSONAL OBJECTIVE

To build human intuition about chemistry through the application of computational molecular simulation, machine learning, and dataset visualization.

WORK EXPERIENCE

Research Scientist I, Vertex Pharmaceuticals Incorporated

Cheminformatics Postdoctoral Fellowship, Haverford College, Haverford, PA

May 2018 – June 2020
Advisors: Professor Joshua Schrier and Professor Alex Norquist
Led and organized a materials discovery campaign across six research institutions involving upwards of fifteen research scientists as part of an ongoing DARPA consortium
Development and maintenance of a data capture and reporting pipeline for machine learning in materials chemistry.
- Code base and datasets in use by three experimental research labs and over fifteen data scientists distributed across six institutions
- Creator of a multiuser python code base for capturing experimental data workflows (see ‘Maintained Repositories’) across remote locations (API interaction, interface design, etc.)
Development of automated pipelines using existing cheminformatics tools to report physicochemical descriptors to machine learning models
- Bridged experimental workflows with ChemAxon, RDkit, and OpenBabel
- Application of Scikit-learn and Plotly (python visualization package) for dataset interrogation

Ph.D., Organic Chemistry, University of Michigan, Ann Arbor, MI, 2018.

Advisors: Prof. Paul Zimmerman and Prof. Melanie Sanford
Thesis title: “Computational Chemistry Studies of Organometallic Energy Landscapes”
- Computational investigation of C(sp³)-N, C(sp²)-C(sp³), C(sp³)-F reductive elimination from Pd(IV)
- Computational chemistry investigations of quantitative structure activity relationship of cobalt catalysts using QChem and Orca for QM calculations and Python (SciKit-Learn, OpenBabel), Unix, PBS, and SLURM for feature development

B.S., Professional Biochemistry, Magna Cum Laude with Highest Honors, Eastern Michigan University, MI, (GPA 3.81/4.00), 2012

Advisor: Prof. Harriet Lindsay
Thesis title: “Optimization of the aza-Cope Mannich cyclization reaction of conformationally mobile acylpyrrolidines”

Additional publications:

Pendleton, Ian. ACS Graduate and Postdoctoral Chemist. The Greater Chemistry Community. 2016, p. 15. http://www.gpchemist.org/graduateandpostdoctoralchemist/july_2016?pg=15#pg15
Pendleton, Ian. “So, how about a Ph. D?” ACS Undergraduate Blog. (4 Part Series). http://acsundergrad.wordpress.com/2012/06/15/so-how-about-a-ph-d/

Eastern Michigan University Awards:
● Peet-Mayor Endowed Chemistry Award, 2012
● Biochemistry Chemistry Achievement Award, 2012
● Decoster, M “Pete” Endowed Scholarship, 2011
● Collin’s Endowed Scholarship, 2010
● Elwood J. Kureth Scholarship, 2010
● Sandra J. Lobbestael chemistry endowed scholarship for outstanding chemistry major, 2009
● Huron Valley Publishing Scholarship, 2009
● CRC Press Freshman Chemistry Achievement, 2009
● 25th Anniversary Undergraduate Scholarship, 2011
● EMU Undergraduate Research Symposium Fellow, (Fall 2008 – Winter 2012)
● Honors Senior Thesis Award, 2012
● Honors College Undergraduate Research Fellowship, (Fall 2010-Fall 2012)
● College of Arts and Sciences (CAS) Dean’s Travel Award, 2011
● Warren Scholarship, 2011

Please contact me at ian ~at~ pendletonian.com for additional information or references.