Protein domain-based prediction of drug/compound-target interactions and experimental validation on LIM kinases

Predictive approaches such as virtual screening have been used in drug discovery with the objective of reducing developmental time and costs. Current machine learning and network-based approaches have issues related to generalization, usability, or model interpretability, especially due to the compl...

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Veröffentlicht in:PLoS computational biology 2021-11, Vol.17 (11), p.e1009171
Hauptverfasser: Doğan, Tunca, Akhan Güzelcan, Ece, Baumann, Marcus, Koyas, Altay, Atas, Heval, Baxendale, Ian R, Martin, Maria, Cetin-Atalay, Rengul
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Sprache:eng
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