How Open Data Shapes In Silico Transporter Modeling

How Open Data Shapes In Silico Transporter Modeling

Chemical compound bioactivity and related data are nowadays easily available from open data sources and the open medicinal chemistry literature for many transmembrane proteins. Computational ligand-based modeling of transporters has therefore experienced a shift from local (quantitative) models to m...

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Bibliographic Details
Main Authors: Floriane Montanari, Barbara Zdrazil
Format: Article
Language:English
Published: MDPI AG 2017-03-01
Series:Molecules
Subjects:
transport proteins
computational modeling
open data
data curation
machine learning
multi-label classification
applicability domain
Online Access:http://www.mdpi.com/1420-3049/22/3/422

Internet

http://www.mdpi.com/1420-3049/22/3/422

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