Wilfried Langenaeker

Publication Activity (10 Years)

Years Active: 2000-2018
Publications (10 Years): 1

Top Topics

Virtual Screening

Top Venues

J. Cheminformatics

Publications

Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening. J. Cheminformatics 10 (1) (2018)
Gert Thijs, Wilfried Langenaeker, Hans De Winter
Application of spectrophores™ to map vendor chemical space using self-organising maps. J. Cheminformatics 3 (S-1) (2011)
Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. J. Chem. Inf. Comput. Sci. 43 (2) (2003)
Frank De Proft, Christian Van Alsenoy, Anik Peeters, Wilfried Langenaeker, Paul Geerlings
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density. J. Comput. Chem. 23 (12) (2002)
Frederik J. Tielens, Wilfried Langenaeker, Ahmet R. Ocakoglu, Paul Geerlings
Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites. J. Comput. Chem. 21 (11) (2000)