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Results: 1-19 |
Results: 19
Diverse viewpoints on computational aspects of molecular diversity
Authors: Martin, YC Willett, P Lajiness, M Johnson, M Maggiora, G Martin, E Bures, MG Gasteiger, J Cramer, RD Pearlman, RS Mason, JS
Citation: Yc. Martin et al., Diverse viewpoints on computational aspects of molecular diversity, J COMB CHEM, 3(3), 2001, pp. 231-250
Neural networks and genetic algorithms in drug design
Authors: Terfloth, L Gasteiger, J
Citation: L. Terfloth et J. Gasteiger, Neural networks and genetic algorithms in drug design, DRUG DISC T, 6(15), 2001, pp. S102-S108
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
Internet-assisted exercises in structural analysis
Authors: Thomas, H Paasch, S Machill, S Thiele, S Herzog, K Hemmer, M Gasteiger, J Salzer, R
Citation: H. Thomas et al., Internet-assisted exercises in structural analysis, FRESEN J AN, 371(1), 2001, pp. 4-10
The use of self-organising neural networks in dye design
Authors: Greaves, AJ Gasteiger, J
Citation: Aj. Greaves et J. Gasteiger, The use of self-organising neural networks in dye design, DYE PIGMENT, 49(1), 2001, pp. 51-63
New description of molecular chirality and its application to the prediction of the preferred enantiomer in stereoselective reactions
Authors: Aires-de-Sousa, J Gasteiger, J
Citation: J. Aires-de-sousa et J. Gasteiger, New description of molecular chirality and its application to the prediction of the preferred enantiomer in stereoselective reactions, J CHEM INF, 41(2), 2001, pp. 369-375
Molecular modeling of fullerene dendrimers
Authors: Schonberger, H Schwab, CH Hirsch, A Gasteiger, J
Citation: H. Schonberger et al., Molecular modeling of fullerene dendrimers, J MOL MODEL, 6(3), 2000, pp. 379-395
The search for the spatial and electronic requirements of a drug
Authors: Handschuh, S Gasteiger, J
Citation: S. Handschuh et J. Gasteiger, The search for the spatial and electronic requirements of a drug, J MOL MODEL, 6(2), 2000, pp. 358-378
Self-organizing neural networks for screening and development of novel artificial sweetener candidates
Authors: Polanski, J Gasteiger, J Jarzembek, K
Citation: J. Polanski et al., Self-organizing neural networks for screening and development of novel artificial sweetener candidates, COMB CHEM H, 3(6), 2000, pp. 481-495
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
Computer-assisted synthesis and reaction planning in combinatorial chemistry
Authors: Gasteiger, J Pfortner, M Sitzmann, M Hollering, R Sacher, O Kostka, T Karg, N
Citation: J. Gasteiger et al., Computer-assisted synthesis and reaction planning in combinatorial chemistry, PERSP DR D, 20(1), 2000, pp. 245-264
Steroid binding by antibodies and artificial receptors: Exploration of theoretical methods to determine the origins of binding affinities and specificities
Authors: Handschuh, S Goldfuss, B Chen, JG Gasteiger, J Houk, KN
Citation: S. Handschuh et al., Steroid binding by antibodies and artificial receptors: Exploration of theoretical methods to determine the origins of binding affinities and specificities, J COMPUT A, 14(7), 2000, pp. 611-629
Simulation of organic reactions: From the degradation of chemicals to combinatorial synthesis
Authors: Hollering, R Gasteiger, J Steinhauer, L Schulz, KP Herwig, A
Citation: R. Hollering et al., Simulation of organic reactions: From the degradation of chemicals to combinatorial synthesis, J CHEM INF, 40(2), 2000, pp. 482-494
Comparative evaluation of chemical and environmental online and CD-ROM databases
Authors: Voigt, K Gasteiger, J Bruggemann, R
Citation: K. Voigt et al., Comparative evaluation of chemical and environmental online and CD-ROM databases, J CHEM INF, 40(1), 2000, pp. 44-49
Prediction of three-dimensional molecular structures using information from infrared spectra
Authors: Hemmer, MC Gasteiger, J
Citation: Mc. Hemmer et J. Gasteiger, Prediction of three-dimensional molecular structures using information from infrared spectra, ANALYT CHIM, 420(2), 2000, pp. 145-154
Pharmacophores derived from the 3D substructure perception
Authors: Handschuh, S Gasteiger, J
Citation: S. Handschuh et J. Gasteiger, Pharmacophores derived from the 3D substructure perception, IUL BIOTECH, 2, 2000, pp. 431-453
Deriving the 3D structure of organic molecules from their infrared spectra
Authors: Hemmer, MC Steinhauer, V Gasteiger, J
Citation: Mc. Hemmer et al., Deriving the 3D structure of organic molecules from their infrared spectra, VIB SPECTR, 19(1), 1999, pp. 151-164
Large molecules section - Introduction
Authors: Gasteiger, J
Citation: J. Gasteiger, Large molecules section - Introduction, THEOCHEM, 463(1-2), 1999, pp. 1-1
A unified approach to exposure assessment by computer models for degradation reactions and soil accumulation: The triazine herbicide example
Authors: Behrendt, H Altschuh, J Sixt, S Gasteiger, J Hollering, R Kostka, T
Citation: H. Behrendt et al., A unified approach to exposure assessment by computer models for degradation reactions and soil accumulation: The triazine herbicide example, CHEMOSPHERE, 38(8), 1999, pp. 1811-1823
Risultati: 1-19 |