Duan2010Analysis_j8

[Daniel-Ibarrola]

Duan, Jianxin, Steven L. Dixon, Jeffrey F. Lowrie, and Woody Sherman. “Analysis and Comparison of 2D Fingerprints: Insights into Database Screening Performance Using Eight Fingerprint Methods.” Journal of Molecular Graphics and Modelling 29, no. 2 (2010): 157–70.

This paper compared different methods to produce fingerprints. Each method was used for virtual screening and their performance was compared. It was concluded that there is not a better method and depending on the problem a particular method can be useful. Also, some metrics for evaluating virtual screening results using fingerprints are mentioned.