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pro vyhledávání: '"Schimunek, Johannes"'
Autor:
Schimunek, Johannes, Seidl, Philipp, Friedrich, Lukas, Kuhn, Daniel, Rippmann, Friedrich, Hochreiter, Sepp, Klambauer, Günter
A central task in computational drug discovery is to construct models from known active molecules to find further promising molecules for subsequent screening. However, typically only very few active molecules are known. Therefore, few-shot learning
Externí odkaz:
http://arxiv.org/abs/2305.09481
Autor:
Hofmarcher, Markus, Mayr, Andreas, Rumetshofer, Elisabeth, Ruch, Peter, Renz, Philipp, Schimunek, Johannes, Seidl, Philipp, Vall, Andreu, Widrich, Michael, Hochreiter, Sepp, Klambauer, Günter
Due to the current severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, there is an urgent need for novel therapies and drugs. We conducted a large-scale virtual screening for small molecules that are potential CoV-2 inhibitors. To
Externí odkaz:
http://arxiv.org/abs/2004.00979
Akademický článek
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Autor:
Schimunek, Johannes, Seidl, Philipp, Elez, Katarina, Hempel, Tim, Le, Tuan, Noé, Frank, Olsson, Simon, Raich, Lluís, Winter, Robin, Gokcan, Hatice, Gusev, Filipp, Gutkin, Evgeny M., Isayev, Olexandr, Kurnikova, Maria G., Narangoda, Chamali H., Zubatyuk, Roman, Bosko, Ivan P., Furs, Konstantin V., Karpenko, Anna D., Kornoushenko, Yury V.
Publikováno v:
Molecular Informatics; Jan2024, Vol. 43 Issue 1, p1-19, 19p