Article

Bakken, Gregory A., Bell, Andrew S., Boehm, Markus, Everett, Jeremy R., Gonzales, Rosalia, Hepworth, David, Klug-McLeod, Jacquelyn L., Lanfear, Jeremy, Loesel, Jens, Mathias, John and Wood, Terence P. (2012) Shaping a screening file for maximal lead discovery efficiency and effectiveness: Elimination of molecular redundancy. Journal of Chemical Information and Modeling, 52 (11). pp. 2937-2949. ISSN 1549-9596 (Print), 1549-960X (Online) (doi:10.1021/ci300372a)