pK a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments. | 1 | 0.35 | 2018 |
Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE). | 4 | 3.45 | 2007 |
Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?. | 2 | 0.43 | 2006 |
Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments. | 8 | 2.97 | 2004 |
Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data. | 2 | 0.43 | 2004 |