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2010 – 2019
- 2018
[j5]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): 9:1-9:24 (2018)- 2011
- [j4]Gert Thijs, Wilfried Langenaeker, Hans De Winter:
Application of spectrophores™ to map vendor chemical space using self-organising maps. J. Cheminformatics 3(S-1): 7 (2011)
2000 – 2009
- 2003
- [j3]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): 422-428 (2003) - 2002
- [j2]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): 1198-1209 (2002) - 2000
- [j1]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): 909-922 (2000)
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