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ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities

[Image: see text] Computational methods such as machine learning approaches have a strong track record of success in predicting the outcomes of in vitro assays. In contrast, their ability to predict in vivo endpoints is more limited due to the high number of parameters and processes that may influen...

Πλήρης περιγραφή

Αποθηκεύτηκε σε:
Λεπτομέρειες βιβλιογραφικής εγγραφής
Τόπος έκδοσης:J Chem Inf Model
Κύριοι συγγραφείς: Garcia de Lomana, Marina, Morger, Andrea, Norinder, Ulf, Buesen, Roland, Landsiedel, Robert, Volkamer, Andrea, Kirchmair, Johannes, Mathea, Miriam
Μορφή: Artigo
Γλώσσα:Inglês
Έκδοση: American Chemical Society 2021
Διαθέσιμο Online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8317154/
https://ncbi.nlm.nih.gov/pubmed/34153183
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.1c00451
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