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1 EROS - A Computer Program for Generating Sequences of Reactions

2 A New Treatment of Chemical Reactivity: Development of EROS, an Expert System for

3 Computergestützte Planung organisch-chemischer Synthesen: Die zweite Programm-

Computer-Assisted Planning of Organic Syntheses: The Second Generation of Programs

4 Automated Derivation of Reaction Rules for the EROS 6.0 System for Reaction Prediction

5 Prediction of Mass Spectra from Structural Information

6 The Simulation of Organic Reactions: From the Degradation of Chemicals to Combinatorial

7 Iterative Partial Equalization of Orbital Electronegativity - A Rapid Access to Atomic

8 Berechnung der Ladungsverteilung in konjugierten Systemen durch eine Quantifizierung des

Calculation of the Charge Distribution in Conjugated Systems by a Quantification of the

9 Residual Electronegativity - An Empirical Quantification of Polar Influences and its

10 A. Fröhlich, TU München, 1993, unpublished results

11 Quantification of Effective Polarisability. Applications to Studies of X-Ray Photoelectron

12 Dipole Moments Obtained by Iterative Partial Equilisation of Orbital Electronegativity

13 Quantitative Models of Gas-Phase Proton Transfer Reactions Involving Alcohols, Ethers,

14 A Quantitative Empirical Treatment of C-13 NMR Chemical Shift Variations on Successive

15 A Quantitative Description of Fundamental Polar Reaction Types. Proton and Hydride

16 Correlation Analyses of the Aqueous Phase Acidities of Alcohols and Gem-Diols, and of

17 Elucidating Chemical Reactivity by Pattern Recognition Methods

18 Empirical Methods for the Calculation of Physicochemical Data of Organic Compounds

19 Tcl and the Tk Toolkit

20 Computer Assisted Prediction of the Degradation of Chemicals: Hydrolysis of Amides and

21 Numerical Initial Value Problems in Ordinary Differential Equations

22 Numerical Recipies, The Art of Scientific Computing

23 Overcoming the Limitations of a Connection Table Description: A Universal Representation

24 Synthesis and Evaluation of Three 1,4-Benzodiazepine Libraries

25 Hash Codes for the Identification and Classification of Molecular Structure Elements

26 Introduction to Organic Chemistry

27 Grundlagen der Organischen Chemie

28 MassLib vom MPI für Kohleforschung, Mülheim a. d. Ruhr

29 Extraction of Chemical Knowledge from Organic Reaction Data by Automatic Hierarchical

30 Knowledge Discovery in Reaction Databases: Landscaping Organic Reactions by a Self

31 Organische Reaktionen mit Hilfe neuronaler Netze klassifiziert: Michael-Additionen, Friedel-

Organic Reactions Classified by Neural Networks: Michael Additions, Friedel-Crafts

32 Classification of Organic Reactions: Similarity of Reactions Based on Changes in the

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Prof. Dr. J. Gasteiger
Computer Chemie Centrum, Org. Chem., Uni. Erlangen
Nägelsbachstraße 25
D-91052 Erlangen

Gasteiger@CCC.Chemie.Uni-Erlangen.DE