| 1 |
Metabolomics-based approach for ranking the candidate structures of unidentified peaks in capillary electrophoresis time-of-flight mass spectrometry
Yamamoto H, Sasaki K
Electrophoresis, 38(7), 1053, 2017 |
| 2 |
Combined Experimental and Predictive Uncertainty of Quantitative Structure Property Relationship Models
Muller K
Chemical Engineering & Technology, 39(2), 365, 2016 |
| 3 |
Rule-based ab initio kinetic model for alkyl sulfide pyrolysis
Van de Vijver R, Vandewiele NM, Vandeputte AG, Van Geem KM, Reyniers MF, Green WH, Marin GB
Chemical Engineering Journal, 278, 385, 2015 |
| 4 |
Toward the Prediction of FBPase Inhibitory Activity Using Chemoinformatic Methods
Hao M, Zhang SW, Qiu JS
International Journal of Molecular Sciences, 13(6), 7015, 2012 |
| 5 |
Chemoinformatics-assisted development of new anti-biofilm compounds
Durig A, Kouskoumvekaki I, Vejborg RM, Klemm P
Applied Microbiology and Biotechnology, 87(1), 309, 2010 |
| 6 |
Computer-aided reverse design for ionic liquids by QSPR using descriptors of group contribution type for ionic conductivities
Matsuda H, Yamamoto H, Kurihara K, Tochigi K
Fluid Phase Equilibria, 261(1-2), 434, 2007 |
| 7 |
[기획특집-전산화학 모델링] 신약개발 분야의 전산화학의 활용
김한조, 노경태
Prospectives of Industrial Chemistry, 8(3), 23, 2005 |
