Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using n...
Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models
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Publisher
Cham: Springer International Publishing
Journal title
Language
English
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Publisher
Cham: Springer International Publishing
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Scope and Contents
Contents
In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the development of new therapeutic agents. Estimating the uncertainty inherent in these neural network predictions provides valuable information that facilitates optimal decis...
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Full title
Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models
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TN_cdi_doaj_primary_oai_doaj_org_article_f2b694bab39f489ebd3e3eea54043192
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_f2b694bab39f489ebd3e3eea54043192
Other Identifiers
ISSN
1758-2946
E-ISSN
1758-2946
DOI
10.1186/s13321-025-00964-y
