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Navigating chemical space for biology and medicine

Author

Listed:
  • Christopher Lipinski

    (Pfizer Global R&D, Groton Laboratories)

  • Andrew Hopkins

    (Pfizer Global R&D, Sandwich Laboratories)

Abstract

Despite over a century of applying organic synthesis to the search for drugs, we are still far from even a cursory examination of the vast number of possible small molecules that could be created. Indeed, a thorough examination of all ‘chemical space’ is practically impossible. Given this, what are the best strategies for identifying small molecules that modulate biological targets? And how might such strategies differ, depending on whether the primary goal is to understand biological systems or to develop potential drugs?

Suggested Citation

  • Christopher Lipinski & Andrew Hopkins, 2004. "Navigating chemical space for biology and medicine," Nature, Nature, vol. 432(7019), pages 855-861, December.
    • Handle: RePEc:nat:nature:v:432:y:2004:i:7019:d:10.1038_nature03193
    DOI: 10.1038/nature03193
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    Cited by:

    1. Kouichi Hosomi & Mai Fujimoto & Kazutaka Ushio & Lili Mao & Juran Kato & Mitsutaka Takada, 2018. "An integrative approach using real-world data to identify alternative therapeutic uses of existing drugs," PLOS ONE, Public Library of Science, vol. 13(10), pages 1-19, October.
    2. Ansell, Christopher K. & Bartenberger, Martin, 2016. "Varieties of experimentalism," Ecological Economics, Elsevier, vol. 130(C), pages 64-73.
    3. Lee, Won Sang & Han, Eun Jin & Sohn, So Young, 2015. "Predicting the pattern of technology convergence using big-data technology on large-scale triadic patents," Technological Forecasting and Social Change, Elsevier, vol. 100(C), pages 317-329.
    4. Hua Yu & Jianxin Chen & Xue Xu & Yan Li & Huihui Zhao & Yupeng Fang & Xiuxiu Li & Wei Zhou & Wei Wang & Yonghua Wang, 2012. "A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data," PLOS ONE, Public Library of Science, vol. 7(5), pages 1-14, May.

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