The rise of deep learning in drug discovery.

By Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, Thomas Blaschke. Drug Discovery Today, 2018

1,560 citations recorded by the source corpus.

Over the past decade, deep learning has achieved remarkable success in various artificial intelligence research areas. Evolved from the previous research on artificial neural networks, this technology has shown superior performance to other machine learning algorithms in areas such as image and voice recognition, natural language processing, among others. The first wave of applications of deep learning in pharmaceutical research has emerged in recent years, and its utility has gone beyond bioactivity predictions and has shown promise in addressing diverse problems in drug discovery. Examples will be discussed covering bioactivity prediction, de novo molecular design, synthesis prediction and biological image analysis.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/89213307256d538942fab6b4ac7ab0dee6936582

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In Computational Theory and Mathematics

  1. Francesca Grisoni
  2. Gisbert Schneider
  3. Sergey I. Nikolenko
  4. José Jiménez-Luna
  5. A. Pais
  6. Tânia F Cova
  7. Nils Weskamp
  8. Shuo Zhang

In Materials Chemistry

  1. Francesca Grisoni
  2. Gisbert Schneider
  3. Sergey I. Nikolenko
  4. A. Pais
  5. Tânia F Cova
  6. José Jiménez-Luna
  7. Nils Weskamp
  8. Shuo Zhang

In Molecular Biology

  1. Sergey I. Nikolenko
  2. Francesca Grisoni
  3. Gisbert Schneider
  4. A. Pais
  5. Tânia F Cova
  6. José Jiménez-Luna
  7. Marwin H. S. Segler
  8. Nils Weskamp

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