The IRMA Community
Newsletters
Research IRM
Click a keyword to search titles using our InfoSci-OnDemand powered search:
|
Application of Machine Leaning in Drug Discovery and Development
Abstract
Machine learning techniques have been widely used in drug discovery and development, particularly in the areas of cheminformatics, bioinformatics and other types of pharmaceutical research. It has been demonstrated they are suitable for large high dimensional data, and the models built with these methods can be used for robust external predictions. However, various problems and challenges still exist, and new approaches are in great need. In this Chapter, the authors will review the current development of machine learning techniques, and especially focus on several machine learning techniques they developed as well as their application to model building, lead discovery via virtual screening, integration with molecular docking, and prediction of off-target properties. The authors will suggest some potential different avenues to unify different disciplines, such as cheminformatics, bioinformatics and systems biology, for the purpose of developing integrated in silico drug discovery and development approaches.
Related Content
|
Jorge Gálvez, Miriam Parreño, Jordi Pla, Jaime Sanchez, María Gálvez-Llompart, Sergio Navarro, Ramón García-Domenech.
© 2013.
10 pages.
|
|
Lionello Pogliani.
© 2013.
16 pages.
|
|
Kaveh Hariri Asli, Faig Bakhman Ogli Naghiyev, Soltan Ali Ogli Aliyev, Hoosein Hariri Asli.
© 2013.
13 pages.
|
|
Mihai V. Putz, Ana-Maria Putz.
© 2013.
20 pages.
|
|
Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian, Pratim Chattaraj.
© 2013.
14 pages.
|
|
Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet, Ali Rahmouni.
© 2013.
22 pages.
|
|
M. I. Profeta, J. R. Romero, L. A. C. Leiva, N. L. Jorge, M. E. Gomez Vara, E. A. Castro.
© 2013.
6 pages.
|
|
|