Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery
Abstract Quantitative structure–activity relationship modeling using machine learning techniques constitutes a complex computational problem, where the identification of the most informative molecular descriptors for predicting a specific target property plays a critical role. Two main general appro...
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Main Authors: | Ignacio Ponzoni, Víctor Sebastián-Pérez, Carlos Requena-Triguero, Carlos Roca, María J. Martínez, Fiorella Cravero, Mónica F. Díaz, Juan A. Páez, Ramón Gómez Arrayás, Javier Adrio, Nuria E. Campillo |
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Format: | article |
Language: | EN |
Published: |
Nature Portfolio
2017
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Online Access: | https://doaj.org/article/d95973b8023d4de68ded65e398e04d19 |
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