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Journal of Computer-Aided Molecular Design|August 7, 2021
Stacking Gaussian processes to improve predictions in the SAMPL7 challengeRobert M Raddi, Vincent A Voelz
Journal of Computer-Aided Molecular Design|February 26, 2005
Locally linear embedding for dimensionality reduction in QSARP J L'Heureux, J Carreau, Y Bengio, et al.
Journal of Computer-Aided Molecular Design|February 26, 2005
Genetic algorithms and self-organizing maps: a powerful combination for modeling complex QSAR and QSPR problemsErsin Bayram, Peter Santago, Rebecca Harris, et al.
Journal of Computer-Aided Molecular Design|February 26, 2005
Comparison of commercially available genetic algorithms: gas as variable selection toolSabine Schefzick, Mary Bradley
Journal of Computer-Aided Molecular Design|May 18, 2004
Force-field parametrization and molecular dynamics simulations of Congo redMarcin Król, Tomasz Borowski, Irena Roterman, et al.
Journal of Computer-Aided Molecular Design|April 10, 2004
Comparative study of several algorithms for flexible ligand dockingBadry D Bursulaya, Maxim Totrov, Ruben Abagyan, et al.
Journal of Computer-Aided Molecular Design|April 10, 2004
Pharmacophore and receptor models for neurokinin receptorsAnders Poulsen, Berith Bjørnholm, Klaus Gundertofte, et al.
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