Validation Study of QSAR/DNN Models Using the Competition Datasets

Since the QSAR/DNN model showed predominant predictive performance over other conventional methods in the Kaggle QSAR competition, many artificial neural network (ANN) methods have been applied to drug and material discovery. Appearance of artificial intelligence (AI), which is combined various gene...

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Veröffentlicht in:	Molecular informatics 2020-01, Vol.39 (1-2), p.e1900154-n/a
Hauptverfasser:	Kato, Yoshiki, Hamada, Shinji, Goto, Hitoshi
Format:	Artikel
Sprache:	eng
Schlagworte:	Activity Challenge Artificial Intelligence Artificial neural networks Biological activity Chainer Chemistry Chemical reactions Competition Databases, Factual Datasets Deep Neural Network Machine Learning Merck Molecular Models, Molecular Neural networks Neural Networks, Computer Organic chemistry Performance prediction Quantitative Structure-Activity Relationship Structure-activity relationships
Online-Zugang:	Volltext
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