Peter Ruch
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View article: A community effort in SARS‐CoV‐2 drug discovery
A community effort in SARS‐CoV‐2 drug discovery Open
The COVID‐19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small‐molecule drugs that are widely available, including i…
View article: A community effort to discover small molecule SARS-CoV-2 inhibitors
A community effort to discover small molecule SARS-CoV-2 inhibitors Open
The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including i…
View article: JEDI Billion Molecules against Covid-19: compounds synthesized
JEDI Billion Molecules against Covid-19: compounds synthesized Open
On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was launched by the Joint European Disruptive Initiative (JEDI). Teams from all over the world provided lists of compounds with suspected inhibitory properties …
View article: JEDI Billion Molecules against Covid-19: compounds synthesized
JEDI Billion Molecules against Covid-19: compounds synthesized Open
On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was launched by the Joint European Disruptive Initiative (JEDI). Teams from all over the world provided lists of compounds with suspected inhibitory properties …
View article: JEDI Billion Molecules against Covid-19: compounds synthesized
JEDI Billion Molecules against Covid-19: compounds synthesized Open
On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was launched by the Joint European Disruptive Initiative (JEDI). Teams from all over the world provided lists of compounds with suspected inhibitory properties …
View article: ConfusionFlow: A Model-Agnostic Visualization for Temporal Analysis of Classifier Confusion
ConfusionFlow: A Model-Agnostic Visualization for Temporal Analysis of Classifier Confusion Open
Classifiers are among the most widely used supervised machine learning algorithms. Many classification models exist, and choosing the right one for a given task is difficult. During model selection and debugging, data scientists need to as…
View article: Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors\n using deep neural networks
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors\n using deep neural networks Open
Due to the current severe acute respiratory syndrome coronavirus 2\n(SARS-CoV-2) pandemic, there is an urgent need for novel therapies and drugs.\nWe conducted a large-scale virtual screening for small molecules that are\npotential CoV-2 i…