LASSO-ing Potential Nuclear Receptor Agonists and Antagonists: A New Computational Method for Database Screening

Sean Ekins, Michael-R. Goldsmith, Aniko Simon, Zsolt Zsoldos, Orr Ravitz, Antony J. Williams
  • Journal of Computational Medicine, January 2013, Hindawi Publishing Corporation
  • DOI: 10.1155/2013/513537

Using molecular features to generate predictive models for Nuclear Receptors

What is it about?

In this study we have used the Ligand Activity by Surface Similarity Order (LASSO) method, a ligand-based virtual screening strategy, to derive structural (surface/shape) molecular features used to generate predictive models of biomolecular activity for Nuclear Receptors.

Why is it important?

The application of the LASSO algorithm has proven to be a fast and efficient approach to identify structural molecular features to generate predictive models

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The following have contributed to this page: Dr Antony John Williams and Dr Sean Ekins