Applications of the Pharmacophore Concept in Natural Product inspired Drug Design

por Seidel, Thomas, Wieder, Oliver, Garon, Arthur, Langer, Thierry
Publicado 2020

Improving Small Molecule pK( a ) Prediction Using Transfer Learning With Graph Neural Networks

por Mayr, Fritz, Wieder, Marcus, Wieder, Oliver, Langer, Thierry
Publicado 2022

High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment

por Seidel, Thomas, Permann, Christian, Wieder, Oliver, Kohlbacher, Stefan M., Langer, Thierry
Publicado 2023

A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS‐CoV‐2

por Battisti, Verena, Wieder, Oliver, Garon, Arthur, Seidel, Thomas, Urban, Ernst, Langer, Thierry
Publicado 2020

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks

por Wieder, Oliver, Kuenemann, Mélaine, Wieder, Marcus, Seidel, Thomas, Meyer, Christophe, Bryant, Sharon D., Langer, Thierry
Publicado 2021