| Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation ME Elyashberg, AJ Williams, GE Martin Progress in Nuclear Magnetic Resonance Spectroscopy 53 (1-2), 1-104, 2008 | 172 | 2008 |
| Identification and structure elucidation by NMR spectroscopy M Elyashberg TrAC Trends in Analytical Chemistry 69, 88-97, 2015 | 132 | 2015 |
| A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: highly modified halogenated dipeptides from Thuiaria breitfussi KØ Hanssen, B Schuler, AJ Williams, TB Demissie, E Hansen, ... Angewandte Chemie 124 (49), 12404-12407, 2012 | 130 | 2012 |
| Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems M Elyashberg, AJ Williams, K Blinov Natural Product Reports 27 (9), 1296-1328, 2010 | 124 | 2010 |
| Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments ME Elyashberg, KA Blinov, AJ Williams, SG Molodtsov, GE Martin, ... Journal of chemical information and computer sciences 44 (3), 771-792, 2004 | 92 | 2004 |
| Contemporary computer-assisted approaches to molecular structure elucidation ME Elyashberg, A Williams, K Blinov Royal Society of Chemistry, 2011 | 88 | 2011 |
| Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data ME Elyashberg, KA Blinov, AJ Williams, ER Martirosian, SG Molodtsov Journal of Natural Products 65 (5), 693-703, 2002 | 85 | 2002 |
| Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches YD Smurnyy, KA Blinov, TS Churanova, ME Elyashberg, AJ Williams Journal of Chemical Information and Modeling 48 (1), 128-134, 2008 | 83 | 2008 |
| Synergistic combination of CASE algorithms and DFT chemical shift predictions: a powerful approach for structure elucidation, verification, and revision AV Buevich, ME Elyashberg Journal of natural products 79 (12), 3105-3116, 2016 | 81 | 2016 |
| NMReDATA, a standard to report the NMR assignment and parameters of organic compounds M Pupier, JM Nuzillard, J Wist, NE Schlörer, S Kuhn, M Erdelyi, ... Magnetic Resonance in Chemistry 56 (8), 703-715, 2018 | 77 | 2018 |
| Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream M Elyashberg, K Blinov, S Molodtsov, Y Smurnyy, AJ Williams, ... Journal of Cheminformatics 1, 1-26, 2009 | 75 | 2009 |
| Computer‐assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system KA Blinov, D Carlson, ME Elyashberg, GE Martin, ER Martirosian, ... Magnetic Resonance in Chemistry 41 (5), 359-372, 2003 | 70 | 2003 |
| Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator GE Martin, CE Hadden, DJ Russell, BD Kaluzny, JE Guido, WK Duholke, ... Journal of heterocyclic chemistry 39 (6), 1241-1250, 2002 | 63 | 2002 |
| Molecular spectral analysis and computers ME Elyashberg, LA Gribov, VV Serov Nauka, Moscow, 1980 | 63 | 1980 |
| Development of a fast and accurate method of 13C NMR chemical shift prediction KA Blinov, YD Smurnyy, TS Churanova, ME Elyashberg, AJ Williams Chemometrics and Intelligent Laboratory Systems 97 (1), 91-97, 2009 | 58 | 2009 |
| Computer-based structure elucidation from spectral data M Elyashberg, AJ Williams Springer, 2015 | 56 | 2015 |
| X-PERT: a user-friendly expert system for molecular structure elucidation by spectral methods ME Elyashberg, ER Martirosian, YZ Karasev, H Thiele, H Somberg Analytica Chimica Acta 337 (3), 265-286, 1997 | 56 | 1997 |
| A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator ME Elyashberg, KA Blinov, ER Martirosian Laboratory Automation & Information Management 34 (1), 15-30, 1999 | 55 | 1999 |
| Enhanced automated structure elucidation by inclusion of two‐bond specific data SF Cheatham, M Kline, RR Sasaki, KA Blinov, ME Elyashberg, ... Magnetic Resonance in Chemistry 48 (8), 571-574, 2010 | 52 | 2010 |
| An expert system for automated structure elucidation utilizing 1H-1H, 13C-1H and 15N-1H 2D NMR correlations KA Blinov, ME Elyashberg, SG Molodtsov, AJ Williams, ER Martirosian Fresenius' journal of analytical chemistry 369, 709-714, 2001 | 52 | 2001 |
