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Results: 1-4 |
Results: 4
A combined application of reaction prediction and infrared spectra simulation for the identification of degradation products of s-triazine herbicides
Authors: Kostka, T Selzer, P Gasteiger, J
Citation: T. Kostka et al., A combined application of reaction prediction and infrared spectra simulation for the identification of degradation products of s-triazine herbicides, CHEM-EUR J, 7(10), 2001, pp. 2254-2260
Rapid access to infrared reference spectra of arbitrary organic compounds:Scope and limitations of an approach to the simulation of infrared spectraby neural networks
Authors: Selzer, P Gasteiger, J Thomas, H Salzer, R
Citation: P. Selzer et al., Rapid access to infrared reference spectra of arbitrary organic compounds:Scope and limitations of an approach to the simulation of infrared spectraby neural networks, CHEM-EUR J, 6(5), 2000, pp. 920-927
Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
Authors: Ertl, P Rohde, B Selzer, P
Citation: P. Ertl et al., Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties, J MED CHEM, 43(20), 2000, pp. 3714-3717
IR spectra simulation and information processing on the WWW
Authors: Selzer, P
Citation: P. Selzer, IR spectra simulation and information processing on the WWW, CHIMIA, 52(11), 1998, pp. 678-682
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