2005 |
6 | EE | Samuli-Petrus Korhonen,
Kari Tuppurainen,
Reino Laatikainen,
Mikael Peräkylä:
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions.
Journal of Chemical Information and Modeling 45(6): 1874-1883 (2005) |
2004 |
5 | | Kari Tuppurainen,
Marja Viisas,
Mikael Peräkylä,
Reino Laatikainen:
Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset.
Journal of Computer-Aided Molecular Design 18(3): 175-187 (2004) |
2003 |
4 | EE | Samuli-Petrus Korhonen,
Kari Tuppurainen,
Reino Laatikainen,
Mikael Peräkylä:
FLUFF-BALL, A Template-Based Grid-Independent Superposition and QSAR Technique: Validation Using a Benchmark Steroid Data Set.
Journal of Chemical Information and Computer Sciences 43(6): 1780-1793 (2003) |
3 | EE | Arja Asikainen,
Juhani Ruuskanen,
Kari Tuppurainen:
Spectroscopic QSAR Methods and Self-Organizing Molecular Field Analysis for Relating Molecular Structure and Estrogenic Activity.
Journal of Chemical Information and Computer Sciences 43(6): 1974-1981 (2003) |
2002 |
2 | EE | Kari Tuppurainen,
Marja Viisas,
Reino Laatikainen,
Mikael Peräkylä:
Evaluation of a Novel Electronic Eigenvalue (EEVA) Molecular Descriptor for QSAR/QSPR Studies: Validation Using a Benchmark Steroid Data Set.
Journal of Chemical Information and Computer Sciences 42(3): 607-613 (2002) |
1990 |
1 | EE | Reino Laatikainen,
Kari Tuppurainen:
A general procedure for transformation of abstract factor solution to real one in presence of linear constraints. An application for chemical component analysis from NMR data.
Computers & Chemistry 14(2): 109-126 (1990) |