Meta-QSAR: a large-scale application of meta-learning to drug design and discovery

We investigate the learning of quantitative structure activity relationships (QSARs) as a case-study of meta-learning. This application area is of the highest societal importance, as it is a key step in the development of new medicines. The standard QSAR learning problem is: given a target (usually...

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Bibliographic Details
Published in:	Machine learning Vol. 107; no. 1; pp. 285 - 311
Main Authors:	Olier, Ivan, Sadawi, Noureddin, Bickerton, G. Richard, Vanschoren, Joaquin, Grosan, Crina, Soldatova, Larisa, King, Ross D.
Format:	Journal Article
Language:	English
Published:	New York Springer US 01.01.2018 Springer Nature B.V
Subjects:	Artificial Intelligence Chemical compounds Computer Science Control Machine learning Mechatronics Natural Language Processing (NLP) Pharmaceutical sciences Representations Robotics Simulation and Modeling Special Issue on Metalearning and Algorithm Selection Studies Test procedures Algorithm selection Drug discovery QSAR Meta-learning
ISSN:	0885-6125, 1573-0565
Online Access:	Get full text
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