InChI: open-source chemical structure representation algorithm

Marc C. Nicklaus

Senior Scientist at National Cancer Institute (NCI)

I am an applied physicist who did graduate research in the area of electron interferometry. I also was interested in, and had training in, computer science starting from before my undergraduate days. This computational track led me to enter the field of molecular modeling as part of my postdoctoral work. Expanding the scope of my work to all aspects of chemical information, I am currently heading the Computer-Aided Drug Design (CADD) Group at the National Cancer Institute (NCI).


LinkedIn: https://www.linkedin.com/in/marc-nicklaus-b7165712a/

DOI:
Group Leader: Extended Tautomers