ZB 248 P-Z 15 IBG-1 10 JSC 9 IEK-8 7 TB 5 more ... IBG-3 3 IEK-13 3 IFF 3 INM-5 3 IEK-6 2 IAS-9 1 IBG-2 1 IBI-6 1 IBI-7 1 IBN-1-2 1 IBN-3-4 1 IEK-4 1 IEK-6-RSF 1 IEK-7 1 PGI-1 1 S 1 see all ... less ...

Gasteiger, Johann 8 Springborg, Michael 8 Joswig, Jan-Ole 6 Hinchliffe, Alan 5 Rague Schleyer, Paul von 5 Wittenberger, W. 5 more ... Küster, Friedrich W. 4 Brink, Klaus 3 Fastert, Gerhard 3 Gompper, Gerhard 3 Grotendorst, Johannes 3 Ignatowitz, Eckhard 3 Jensen, Frank 3 Marx, Dominik 3 Sutmann, Godehard 3 Wittenberger, Walter. 3 Zachmann, Hans Gerhard. 3 Bajorath, Jürgen 2 Consonni, Viviana 2 Doerffel, K. 2 Dubrovkin, Joseph 2 Eckermann, R. 2 Engel, Thomas 2 Finken, R. 2 Foresman, James B. 2 Frenkel, Daan 2 Frisch, AEleen 2 Fritz, W. 2 Gasteiger, Johann. 2 Henderson, D. 2 see all ... less ...

computational chemistry 78 computer application 36 modeling 33 chemistry 23 chemometrics 23 chemical engineering 17 more ... quantum chemistry 17 mathematical method 16 molecular modeling 16 chemical analysis 15 calculation 12 drug design 12 chemical reaction 11 computer simulation 11 Molecules -- Models. 10 data processing 10 density functional theory 9 molecular structure 9 theoretical chemistry 9 molecular dynamics 8 simulation 8 computer program 7 mathematics 7 Chemistry. 6 bioinformatics 6 calibration 6 data analysis 6 database system 6 algorithm theory 5 artificial intelligence 5 see all ... less ...

CAN - Chemistry - mathematical methods, computer applications 287 DYA - Artificial intelligence 9 CWG - Principles of chemical engineering 8 CHN - Quantum chemistry 7 CUA - Spectroscopy 7 CAU - Laboratory and safety engineering in chemistry 6 more ... CHNK - Quantum chemistry - special aspects 6 CTF - Chemical analytical methods 6 MSH - Mathematical methods in life sciences 6 MWG - Simulation, Monte Carlo method, random numbers 6 CHA - Physical chemistry - comprehensive works 5 CTD - Chemical analysis - general aspects 5 DPA - Electronic data processing - applications 5 HPK - Special pharmacology, drug design 5 CHJ - Molecular physics, molecular structure 4 CHO - Electronic structure of molecules, molecular orbitals, ligand field theory 4 CWB - Chemical engineering - comprehensive works 4 CWKC - Chemical reaction engineering 4 FANE - Computational solid state physics 4 LAN - Biology - mathematical methods, statistics 4 CANE - Chemistry - statistical methods 3 CEN - Metal organic compounds - synthesis and reactions 3 CTA - Chemical analysis - comprehensive works 3 CUR - Infrared spectroscopy 3 CWK - Chemical reaction engineering and reactor design 3 DWI - Information management 3 HAN - Medicine - mathematical methods, computer applications, databases 3 HBC - Physiological chemistry, biochemistry 3 LPD - Bioinformatics 3 MAD - Mathematics - comprehensive works 3 see all ... less ...

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