Further Readings
Andersen, J. L., Flamm, C., Merkle, D., & Stadler, P. F. (2014). Generic strategies for chemical space exploration. International Journal of Computational Biology and Drug Design, 7(2–3), 225–258.
Araki, M., Gutteridge, A., Honda, W., Kanehisa, M., & Yamanishi, Y. (2008). Prediction of drug–target interaction networks from the integration of chemical and genomic spaces. Bioinformatics, 24(13), i232–i240.
Banck, M., Hutchison, G. R., James, C. A., Morley, C., O’Boyle, N. M., & Vandermeersch, T. (2011). Open Babel: An open chemical toolbox. Journal of Cheminformatics, 3, 33.
Barge, L. M., Cardoso, S. S., Cartwright, J. H., Cooper, G. J., Cronin, L., Doloboff, I. J., Escribano, B., Goldstein, R. E., Haudin, F., Jones, D. E., Mackay, A. L., Maselko, J., Pagano, J. J., Pantaleone, J., Russell, M. J., Sainz-DÃaz, C. I., Steinbock, O., Stone, D. A., Tanimoto, Y., Thomas, N. L., & Wit, A. D. (2015). From chemical gardens to chemobrionics. Chemical Reviews, 115(16), 8652–8703.
Barrett, S. J., & Langdon, W. B. (2006). Advances in the application of machine learning techniques in drug discovery, design and development. In A. Tiwari, R. Roy, J. Knowles, E. Avineri, & K. Dahal (Eds.), Applications of soft computing. Advances in intelligent and soft computing (Vol. 36). Berlin/Heidelberg: Springer.
Belianinov, A., et al. (2015). Big data and deep data in scanning and electron microscopies: Deriving functionality from multidimensional data sets. Advanced Structural and Chemical Imaging, 1, 6. https://doi.org/10.1186/s40679-015-0006-6.
Benz, R. W., Baldi, P., & Swamidass, S. J. (2008). Discovery of power-laws in chemical space. Journal of Chemical Information and Modeling, 48(6), 1138–1151.
Bolstad, E. S., Coleman, R. G., Irwin, J. J., Mysinger, M. M., & Sterling, T. (2012). ZINC: A free tool to discover chemistry for biology. Journal of Chemical Information and Modeling, 52(7), 1757–1768.
Bolton, E., Bryant, S. H., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Kim, S., Shoemaker, B. A., Thiessen, P. A., Wang, J., Yu, B., & Zhang, J. (2016). PubChem substance and compound databases. Nucleic Acids Research, 44, D1202–D1213.
Bon, R. S., & Waldmann, H. (2010). Bioactivity-guided navigation of chemical space. Accounts of Chemical Research, 43(8), 1103–1114.
Butte, A., & Chen, B. (2016). Leveraging big data to transform target selection and drug discovery. Clinical Pharmacology and Therapeutics, 99(3), 285–297.
Buytaert, W., El-khatib, Y., Macleod, C. J., Reusser, D., & Vitolo, C. (2015). Web technologies for environmental Big Data. Environmental Modelling and Software, 63, 185–198.
Clarke, P., Coveney, P. V., Heavens, A. F., Jäykkä, J., Korn, A., Mann, R. G., McEwen, J. D., Ridder, S. D., Roberts, S., Scanlon, T., Shellard, E. P., Yates, J. A., & Royal Society (2016). https://doi.org/10.1098/rsta.2016.0153.
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Bird, C.L., Frey, J.G. (2018). Chemistry. In: Schintler, L., McNeely, C. (eds) Encyclopedia of Big Data. Springer, Cham. https://doi.org/10.1007/978-3-319-32001-4_260-1
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