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Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps
Journal of Chemical Information and Modeling, 2007We describe a novel method for ligand-based virtual screening, based on utilizing Self-Organizing Maps (SOM) as a novelty detection device. Novelty detection (or one-class classification) refers to the attempt of identifying patterns that do not belong to the space covered by a given data set.
Dimitar Hristozov +2 more
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Algorithms for ligand based virtual screening in drug discovery
2015 International Conference on Applied and Theoretical Computing and Communication Technology (iCATccT), 2015Machine learning can play a very important role in various crucial applications like data mining and pattern recognition. Machine learning techniques have been widely used in drug discovery and development, particularly in the areas of chemo-informatics, bioinformatics and other types of pharmaceutical research.
Khushboo Babaria +3 more
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Ligand expansion in ligand-based virtual screening using relevance feedback
Journal of Computer-Aided Molecular Design, 2012Query expansion is the process of reformulating an original query to improve retrieval performance in information retrieval systems. Relevance feedback is one of the most useful query modification techniques in information retrieval systems. In this paper, we introduce query expansion into ligand-based virtual screening (LBVS) using the relevance ...
Ammar Abdo +4 more
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A reverse combination of structure-based and ligand-based strategies for virtual screening
Journal of Computer-Aided Molecular Design, 2012A new approach is presented that combines structure- and ligand-based virtual screening in a reverse way. Opposite to the majority of the methods, a docking protocol is first employed to prioritize small ligands ("fragments") that are subsequently used as queries to search for similar larger ligands in a database.
Álvaro Cortés Cabrera +2 more
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Social Determinants of Health and US Cancer Screening Interventions: A Systematic Review
Ca-A Cancer Journal for Clinicians, 2023Ariella R Korn +2 more
exaly
Time to Add Screening for Financial Hardship as a Quality Measure?
Ca-A Cancer Journal for Clinicians, 2021Ya-Chen Tina Shih +2 more
exaly
Ligand-Based Approaches in Virtual Screening
Current Computer Aided-Drug Design, 2008openaire +1 more source
Cancer Screening in the United States, 2013
Ca-A Cancer Journal for Clinicians, 2013Robert A Smith +2 more
exaly