Wilfried Langenaeker

According to our database, Wilfried Langenaeker authored at least 5 papers between 2000 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2018

Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.

Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter

J. Cheminformatics, 2018

2011

Application of spectrophores™ to map vendor chemical space using self-organising maps.

Gert Thijs, Wilfried Langenaeker, Hans De Winter

J. Cheminformatics, 2011

2003

Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method.

Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere

J. Chem. Inf. Comput. Sci., 2003

2002

Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density.

Frank De Proft, Christian Van Alsenoy, Anik Peeters, Wilfried Langenaeker, Paul Geerlings

J. Comput. Chem., 2002

2000

Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites.

Frederik J. Tielens, Wilfried Langenaeker, Ahmet R. Ocakoglu, Paul Geerlings

J. Comput. Chem., 2000