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State-of-the-Art Genetic Programming for Predicting Human Oral Bioavailability of Drugs

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Book cover Advances in Bioinformatics

Part of the book series: Advances in Intelligent and Soft Computing ((AINSC,volume 74))

Abstract

Being able to predict the human oral bioavailability for a potential new drug is extremely important for the drug discovery process. This problem has been addressed by several prediction tools, with Genetic Programming providing some of the best results ever achieved. In this paper we use the newest state-of-the-art developments of Genetic Programming, in particular the latest bloat control method, to find out exactly how much improvement we can achieve on this problem.We show examples of some actual solutions and discuss their quality from the practitioners’ point of view, comparing them with previously published results. We identify some unexpected behaviors and discuss the way for further improving the practical usage of the Genetic Programming approach.

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Author information

Authors and Affiliations

  1. INESC-ID Lisboa, Rua Alves Redol 9, 1000-029, Lisboa, Portugal

    Sara Silva

  2. Center for Informatics and Systems of the University of Coimbra, Portugal

    Sara Silva

  3. Department of Informatics, Systems and Communication (D.I.S.Co.), University of Milano-Bicocca, Milan, Italy

    Leonardo Vanneschi

  4. INESC-ID Lisboa, Portugal

    Leonardo Vanneschi

Authors
  1. Sara Silva
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  2. Leonardo Vanneschi
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Editor information

Editors and Affiliations

  1. Dep. Informática / CCTC, Universidade do Minho, Campus de Gualtar, 4710-057, Braga, Portugal

    Miguel P. Rocha

  2. Escuela Superior de Ingeniería Informática Edificio Politécnico, Despacho 408 Campus Universitario As Lagoas s/n, 32004, Ourense, Spain

    Florentino Fernández Riverola

  3. Computational Biology and Machine Learning Lab, School of Computing, Queen’s University, K7L 3N6, Kingston, Ontario, Canada

    Hagit Shatkay

  4. Departamento de Informática y Automática Facultad de Ciencias, Universidad de Salamanca, Plaza de la Merced S/N, 37008, Salamanca, Spain

    Juan Manuel Corchado

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© 2010 Springer-Verlag Berlin Heidelberg

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Silva, S., Vanneschi, L. (2010). State-of-the-Art Genetic Programming for Predicting Human Oral Bioavailability of Drugs. In: Rocha, M.P., Riverola, F.F., Shatkay, H., Corchado, J.M. (eds) Advances in Bioinformatics. Advances in Intelligent and Soft Computing, vol 74. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-13214-8_22

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  • DOI: https://doi.org/10.1007/978-3-642-13214-8_22

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-13213-1

  • Online ISBN: 978-3-642-13214-8

  • eBook Packages: EngineeringEngineering (R0)

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