Abstract
Structure-based virtual screening is a technology increasingly used in drug discovery. Although successful at estimating binding modes for input ligands, these technologies are less successful at ranking true hits correctly by binding free energy. This paper presents the results of initial attempts to automate the removal of false positives from virtual hit sets, by evolving a post docking filter using Cartesian Genetic Programming. © Springer-Verlag 2004.
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CITATION STYLE
Beatriz Garmendia-Doval, A., David Morley, S., & Juhos, S. (2004). Post Docking Filtering Using Cartesian Genetic Programming. Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 2936, 189–200. https://doi.org/10.1007/978-3-540-24621-3_16
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