Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy.
Gregory A. BakkenAndrew BellMarkus BoehmJeremy R. EverettRosalia GonzalesDavid HepworthJacquelyn L. Klug-McLeodJeremy LanfearJens LoeselJohn MathiasTerence P. WoodPublished in: J. Chem. Inf. Model. (2012)