Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules von Medrano Sandonas, Leonardo, Van Rompaey, Dries, Fallani, Alessio, Hilfiker, Mathias, Hahn, David, Perez-Benito, Laura, Verhoeven, Jonas, Tresadern, Gary, Kurt Wegner, Joerg, Ceulemans, Hugo, Tkatchenko, Alexandre

Volltext

Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task von Nugmanov, Ramil, Dyubankova, Natalia, Gedich, Andrey, Wegner, Joerg Kurt

Volltext

A Symbolic Regression Model for the Prediction of Drug Binding to Human Liver Microsomes von Van Rompaey, Dries, Morrison, Denise, Van Den Bergh, An, Wegner, Joerg Kurt

Volltext

Fast semi-supervised discriminant analysis for binary classification of large data sets von Tavernier, Joris, Simm, Jaak, Meerbergen, Karl, Wegner, Joerg Kurt, Ceulemans, Hugo, Moreau, Yves

Volltext

Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV‑1 Protease Inhibitors (II) von Hohlfeld, Konrad, Wegner, Jörg Kurt, Kesteleyn, Bart, Linclau, Bruno, Unge, Johan

Volltext

Fast semi-supervised discriminant analysis for binary classification of large data sets von Tavernier, Joris, Simm, Jaak, Meerbergen, Karl, Wegner, Joerg Kurt, Ceulemans, Hugo, Moreau, Yves

Volltext

ReacLLaMA: Merging chemical and textual information in chemical reactivity AI models von Hartgers, Aline, Nugmanov, Ramil, Chernichenko, Kostiantyn, Wegner, Joerg Kurt

Volltext bestellen

ReacLLaMA: Merging chemical and textual information in chemical reactivity AI models von Hartgers, Aline, Nugmanov, Ramil, Chernichenko, Kostiantyn, Wegner, Joerg Kurt

Volltext

Aquamarine: Quantum-Mechanical Exploration of Conformers and Solvent Effects in Large Drug-like Molecules von Medrano Sandonas, Leonardo

Volltext bestellen

Fast semi-supervised discriminant analysis for binary classification of large data-sets von Tavernier, Joris, Simm, Jaak, Meerbergen, Karl, Wegner, Joerg Kurt, Ceulemans, Hugo, Moreau, Yves

Volltext

5-AMINO-4-HYDROXYPENTOYL AMIDES von KESTELEYN, BART RUDOLF ROMANIE, SCHEPENS, WIM BERT GRIET, THURING, JOHANNES WILHELMUS J, WALLBERG, HANS KRISTIAN, SAMUELSSON, BENGT BERTIL, KALAYANOV, GENADIY, WEGNER, JOERG KURT, PARKES, KEVIN

Volltext bestellen

Phenotype prediction method von BOUTTON CARLO WILLY MAURICE, VAN VLIJMEN HERMAN, WEGNER JOERG KURT

Volltext bestellen

PHENOTYPE PREDICTION METHOD von BOUTTON CARLO WILLY MAURICE, VAN VLIJMEN HERMAN, JOERG WEGNER KURT

Volltext bestellen

PHENOTYPE PREDICTION METHOD von BOUTTON, CARLO WILLY MAURICE, VAN VLIJMEN, HERMAN, WEGNER, JOERG KURT

Volltext bestellen

5-amino-4-hydroxypentoyl amides von SAMUELSSON BENGT BERTIL, WALLBERG HANS KRISTIAN, THURING JOHANNES WILHELMUS J, KESTELEYN BART RUDOLF ROMANIE, PARKES KEVIN, SCHEPENS WIM BERT GRIET, WEGNER JOERG KURT, KALAYANOV GENADIY

Volltext bestellen

PHENOTYPE PREDICTION METHOD von BOUTTON, CARLO WILLY MAURICE, VAN VLIJMEN, HERMAN, WEGNER, JOERG KURT

Volltext bestellen

5-AMINO-4-HYDROXYPENTOYL AMIDES von SAMUELSSON BENGT BERTIL, WALLBERG HANS KRISTIAN, THURING JOHANNES WILHELMUS J, KESTELEYN BART RUDOLF ROMANIE, PARKES KEVIN, SCHEPENS WIM BERT GRIET, WEGNER JOERG KURT, KALAYANOV GENADIY

Volltext bestellen

5-Amino-4-hydroxypentoyl amides von SAMUELSSON, BENGT, BERTIL, WEGNER, JOERG, KURT, KESTELEYN, BART, RUDOLF, ROMANIE, THURING, JOHANNES, WILHELMUS, J, KALAYANOV, GENADIY, SCHEPENS, WIM, BERT, GRIET, PARKES, KEVIN, WALLBERG, HANS, KRISTIAN

Volltext bestellen

5-AMINO- 4-HYDROXYPENTOYL AMIDES von SAMUELSSON, BENGT, BERTIL, WEGNER, JOERG, KURT, KESTELEYN, BART, RUDOLF, ROMANIE, THURING, JOHANNES, WILHELMUS, J, KALAYANOV, GENADIY, SCHEPENS, WIM, BERT, GRIET, PARKES, KEVIN, WALLBERG, HANS, KRISTIAN

Volltext bestellen

5-AMINO- 4-HYDROXYPENTOYL AMIDES von KESTELEYN, BART RUDOLF ROMANIE, SCHEPENS, WIM BERT GRIET, THURING, JOHANNES WILHELMUS J, WALLBERG, HANS KRISTIAN, SAMUELSSON, BENGT BERTIL, KALAYANOV, GENADIY, WEGNER, JOERG KURT, PARKES, KEVIN

Volltext bestellen