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Gasteiger, Johann 7 Rague Schleyer, Paul von 5 Brink, Klaus. 2 Consonni, Viviana 2 Engel, Thomas 2 Frenkel, Daan 2 more ... Fritz, W. 2 Gasteiger, Johann. 2 Gompper, Gerhard 2 Grotendorst, Johannes 2 Jensen, Frank 2 Malinowski, Edmund R. 2 Marx, Dominik 2 Otto, Matthias 2 Schmidt, Wolfgang 2 Smit, Berend 2 Sutmann, Godehard 2 Todeschini, Roberto 2 Wang, Shichang 2 Wittenberger, W. 2 Zachmann, Hans Gerhard. 2 Adams, Thomas A., II 1 Aris, Rutherford 1 Armanino, Carla 1 Ash, Janet Elizabeth 1 Bachrach, Steven M. 1 Bansal, Prerna 1 Bartel, Hans-Georg. 1 Barwick, Vicki J. 1 Billo, E. Joseph 1 see all ... less ...

computational chemistry 31 chemometrics 16 computer application 13 chemistry 11 modeling 11 chemical engineering 9 more ... chemical analysis 8 data processing 7 statistics 7 theoretical chemistry 7 calculation 6 experimental design 6 chemical reaction 5 error analysis 5 multivariate analysis 5 calibration 4 drug design 4 mathematical method 4 neural network (computing) 4 simulation 4 MS - Excel 3 artificial intelligence 3 chemical properties 3 data analysis 3 database system 3 differential equation 3 group theory 3 molecular modeling 3 molecular structure 3 molecule 3 see all ... less ...

CAN - Chemistry - mathematical methods, computer applications 84 CANE - Chemistry - statistical methods 8 DYA - Artificial intelligence 4 CAU - Laboratory and safety engineering in chemistry 3 CWG - Principles of chemical engineering 3 MWH - Statistics 3 more ... 010 - Simulation Science (textbook) 2 CHNK - Quantum chemistry - special aspects 2 CTYC - Planning and evaluation of chemical analysis 2 CWB - Chemical engineering - comprehensive works 2 DPA - Electronic data processing - applications 2 DTAF - MS - Excel 2 DYB - Neural networks and computing 2 MWG - Simulation, Monte Carlo method, random numbers 2 MWHJ - Factor analysis 2 CEN - Metal organic compounds - synthesis and reactions 1 CHO - Electronic structure of molecules, molecular orbitals, ligand field theory 1 CLAP - Liquid phase reactions 1 CLM - Catalytic processes 1 CLP - Colloid chemistry, surface chemistry 1 CNE - Electrochemistry 1 CT - Chemical methods of materials analysis 1 CTD - Chemical analysis - general aspects 1 CTF - Chemical analytical methods 1 CWKC - Chemical reaction engineering 1 CWOU - Fluidization, fluidized beds 1 CXR - Natural gas and petroleum - chemistry and technology 1 DPAD - Data mining, text mining, big data 1 DWA - Database systems 1 FMW - Rare earth materials 1 see all ... less ...

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