Journal Article Research Support, Non-U.S. Gov't QuBiLS-MIDAS 3D N-linear indices 3D molecular descriptors Choquet integral GOWA aggregation operator GOWAWA aggregation operator Java language N-tuple simple stochastic N-tuple spatial-(dis)similarity matrix QuBiLS-MIDAS software TOMOCOMD-CARDD chemical development kit chiral molecular descriptor double stochastic and mutual probability matrices fuzzy membership degree fuzzy membership function fuzzy membership functions fuzzy molecular descriptor fuzzy spherical truncation geometrical (3D) molecular descriptor geometry matrix neighborhood matrix principal component analysis quantitative structure-activity relationships (QSAR) scalability speed up spherical truncation variability analysis