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Machine-Learning-Enabled Virtual Screening for Inhibitors of Lysine-Specific Histone Demethylase 1

A machine learning approach has been applied to virtual screening for lysine specific demethylase 1 (LSD1) inhibitors. LSD1 is an important anti-cancer target. Machine learning models to predict activity were constructed using Morgan molecular fingerprints. The dataset, consisting of 931 molecules w...

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Detalles Bibliográficos
Autores principales:	Zhou, Jiajun, Wu, Shiying, Lee, Boon Giin, Chen, Tianwei, He, Ziqi, Lei, Yukun, Tang, Bencan, Hirst, Jonathan D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8707381/ https://www.ncbi.nlm.nih.gov/pubmed/34946572 http://dx.doi.org/10.3390/molecules26247492

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