I intend this page to centralize interdisciplinary work between theoretical computer science and chemoinformatics, much as Bill Gasarch maintains a page of applications of Ramsey Theory to computer science. I plan to add links over time, to make this as comprehensive a list as possible. Pointers to internet resources or the academic literature are more than welcome!
A. Yamaguchi, K. Aoki, H. Mamitsuka. Graph Complexity of Chemical Compounds in Biological Pathways. Genome Informatics, 2003.
N. Brown. Chemoinformatics–An Introduction for Computer Scientists. ACM Computing Surveys, February 2009.
A. Sterling. Book Review: Handbook of Chemoinformatics Algorithms, to appear in SIGACT News.
A. Sterling, Is Chemoinformatics the New Bioinformatics?
R. Guha, The Treewidth of Chemical Graphs.