Seiler KP, George GA, Happ MP, et al. ChemBank: a small-molecule screening and cheminformatics resource database. Nucleic Acids Res. 2008;36(Database issue):D351-9. doi:10.1093/nar/gkm843
Forman JJ, Clemons PA, Schreiber SL, Haggarty SJ. SpectralNET--an application for spectral graph analysis and visualization. BMC Bioinformatics. 2005;6:260. doi:10.1186/1471-2105-6-260
Pradines JR, Farutin V, Rowley S, Dančík V. Analyzing protein lists with large networks: edge-count probabilities in random graphs with given expected degrees. J Comput Biol. 2005;12(2):113-28. doi:10.1089/cmb.2005.12.113
Wawer M, Peltason L, Bajorath J. Elucidation of structure-activity relationship pathways in biological screening data. J Med Chem. 2009;52(4):1075-80. doi:10.1021/jm8014102
Abadi S, Yan WX, Amar D, Mayrose I. A machine learning approach for predicting CRISPR-Cas9 cleavage efficiencies and patterns underlying its mechanism of action. PLoS Comput Biol. 2017;13(10):e1005807. doi:10.1371/journal.pcbi.1005807
Sobreira NLM, Arachchi H, Buske OJ, et al. Matchmaker Exchange. Curr Protoc Hum Genet. 2017;95:9.31.1-9.31.15. doi:10.1002/cphg.50
Cuomo CA, Shea T, Yang B, Rao R, Forche A. Whole Genome Sequence of the Heterozygous Clinical Isolate 81-B-5. G3 (Bethesda). 2017;7(9):2883-2889. doi:10.1534/g3.117.043547
Wawer M, Lounkine E, Wassermann AM, Bajorath J. Data structures and computational tools for the extraction of SAR information from large compound sets. Drug Discov Today. 2010;15(15-16):630-9. doi:10.1016/j.drudis.2010.06.004
Ripphausen P, Nisius B, Wawer M, Bajorath J. Rationalizing the role of SAR tolerance for ligand-based virtual screening. J Chem Inf Model. 2011;51(4):837-42. doi:10.1021/ci200064c
Over B, McCarren P, Artursson P, et al. Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties. J Med Chem. 2014;57(6):2746-54. doi:10.1021/jm500059t