Articles with "activity predictions" as a keyword



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MolPredictX: Online Biological Activity Predictions by Machine Learning Models

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Published in 2022 at "Molecular Informatics"

DOI: 10.1002/minf.202200133

Abstract: Here we report the development of MolPredictX, an innovate and freely accessible web interface for biological activity predictions of query molecules. MolPredictX utilizes in‐house QSAR models to provide 27 qualitative predictions (active or inactive), and… read more here.

Keywords: activity predictions; predictions machine; biological activity; molpredictx online ... See more keywords
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Structure–Activity Predictions From Computational Mining of Protein Databases to Assist Modular Design of Antimicrobial Peptides

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Published in 2022 at "Frontiers in Microbiology"

DOI: 10.3389/fmicb.2022.812903

Abstract: Antimicrobial peptides (AMPs) are naturally produced by pro- and eukaryotes and are promising alternatives to antibiotics to fight multidrug-resistant microorganisms. However, despite thousands of AMP entries in respective databases, predictions about their structure–activity relationships are… read more here.

Keywords: structure activity; activity predictions; antimicrobial peptides; design ... See more keywords