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Fig. 8 | Journal of Cheminformatics

Fig. 8

From: Chemoinformatics and structural bioinformatics in OCaml

Fig. 8

Performance of ACPC in the electrostatic space, using Parmap for parallelization. Open Babel 2.3.9’s MACCS and FP4 C++ implementations run-times are shown to give an order of magnitude. Run-times were averaged over three runs. Protein target: Human immunodeficiency virus type 1 protease (HIVPR) from the Database of Useful Decoys Enhanced (DUDE [93]); 26450 ligands and decoys

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