Literaturverzeichnis

Literaturverzeichnis

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Pure Appl. Chem. 14 (1967) 19-37


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Computer-Assisted Design of Complex Organic Syntheses"

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Computer-assisted Analysis of Complex Synthetic Problems"

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Computer-Assisted Analysis of Organic Synthesis"

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Computer-Assisted Synthetic Analysis. Facile Man-Machine Communication of Chemical Structure by Interactive Computer Graphics"

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Computer-Assisted Synthetic Analysis for Complex Molecules. Methods and Procedures for Machine Generation of Synthetic Intermediates"

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An Algorithm for Machine Perception of Synthetically Significant Rings in Complex Cyclic Organic Structures"

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Automatic problem solving applied to synthetic chemistry"

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The performance of a noninteractive synthesis program"

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Computer-Assisted Knowledge Acquisition System for Synthesis Planning"

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Context Description in Synthesis Planning"

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Representation of the Constitutional and Stereochemical Features of Chemical Systems in the Computer Assisted Design of Syntheses"

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Chemical reactions and Structures without Precedent Generated by Computer Program"

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Tetrahedron Comput. Methodol. 1 (1988) 27-37


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Artificial Intelligence in Organic Synthesis. SST: Starting Material Selection Strategies. An Application of Superstructure Search"

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Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction"

Anal. Chim. Acta 235 (1990) 163-168


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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 3. Ylide Chemistry and the Organometallic Chemistry of Lithium, Magnesium, and Lithium Cuprates"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 4. Organosilicon Chemistry"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 9. Reactions of Unsaturated Electrophiles Including Nucleophilic Aromatic Substitution"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X-Activated Anions"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 17. Free Radical Chain Reactions"

J. Org. Chem. 55 (1990) 9-27


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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 11. Electrophilic Aromatic Substitution"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 15. Heterocycle Synthesis"

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Computer-Assisted Mechanistic Evaluation of Organic Reactions. 7. Six-Electron Cycloadditions"

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General Treatment of Periselectivity"

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Computer-Assisted Evaluation of Oxidation Reactions"

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CASREACT: more than a million reactions"

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Steps toward the automatic compilation of synthetic organic reactions"

J. Chem. Inf. Comput. Sci. 19 (1979) 137-141


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Building and Refining a Knowledge Base for Synthetic Organic Chemistry via the Methodology of Inductive and Deductive Machine Learning"

J. Chem. Inf. Comput. Sci. 30 (1990) 492-504


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HORACE: An automatic system for the hierarchical classification of chemical reactions"

J. Chem. Inf. Comput. Sci. 34 (1994) 74-90


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Machine Learning of Generic Reactions: 1. Scope of the Project; the GRAMS Program"

Tetrahedron Comput. Methodol. 3 (1990) 323-333


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Computergestützte Planung organisch-chemischer Synthesen: die zweite Programmgeneration"

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A collection of computer methods for the synthesis design and reaction prediction"

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

J. Comp. Chem. 15 (1994) 793-813


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Computergestützte Syntheseplanung durch Erkennung synthetisch nutzbarer Ähnlichkeit von Molekülen"

Dissertation, TU München (1991) S. 105


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Wie [58], S. 78

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Ihlenfeldt, W.-D.

An Efficient Approach toward a Flexible and General Knowledge Definition and Program Control Language System for a Synthesis-Planning Program"

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Ableitung organisch-chemischer Reaktionen mit dem Simulationsprogramm AHMOS"

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Pure Appl. Chem. 62 (1990) 1921-1932


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Generalization and representation of synthesis pathways in the COSYMA system"

Recl. Trav. Chim. Pays-Bas 111 (1992) 317-322


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Problems of molecular design and computer. 11. The FLAMINGOES program system for the nonempirical solution of structural problems of organic chemistry. The BASIC program oriented for the microcomputer"

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Computer-Assisted Synthetic Analysis: A Generalized Procedure for Subgoal Transform Selection Based on a Two-dimensional Pattern Language"

J. Chem. Inf. Comput. Sci. 34 (1994) 922-933


[66]
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Lilith: From Childhood to Adolescence"

J. Chem. Inf. Comput. Sci. 34 (1994) 120-129


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Nouv. J. Chim. 2 (1978) 187-193


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Microcomputer and Organic Synthesis. 3. The MARSEIL/SOS Expert System, a New Graphic Approach. An Electronic Lab Note for Organic Synthesis"

J. Org. Chem. 53 (1988) 720-724


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Der Autor hatte während eines Praktikums 1989 Gelegenheit, das Programm RDSS in der Computer-Chemie-Abteilung des damaligen Bitterfelder Chemie-Kombinats kennenzulernen.

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Persönliche Mitteilung von W. T. Wipke während eines Workshops zu Computer-gestützter Syntheseplanung, der vom 14.05. bis 16.05.1995 in Goslar-Hahnenklee stattfand.

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Persönliche Mitteilung von J. R. Rose, einem ehemaligen Mitarbeiter von Gelernter, der als Postdoktorand im Arbeitskreis Gasteiger tätig war.

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An Application of Artificial Intelligence to Organic Synthesis"

J. Am. Chem. Soc. 98 (1976) 1499-1510


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SCORE: a program to explore the SCOpe of a given intramolecular REaction. How to find systematically the relevancy of a transform to various classes of structures. Application to the DeMayo reaction"

Tetrahedron Comput. Methodol. 1 (1988) 3-14


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Scheme: an interpreter for extended lambda calculus"

MIT (1975)


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Structure and Interpretation of Computer Programs"

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Revised4 Report on the Algorithmic Language Scheme"

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Programming PERL"

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Programmieren in perl"

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Tcl and the Tk Toolkit"

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Practical Programming in Tcl and Tk"

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Grundlagen des CIP-Systems und Vorschläge für eine Revision"

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Quantification of Effective Polarizability. Applications to Studies of X-Ray Photoelectron Spectroscopy and Alkylamine Protonation"

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

Tetrahedron 36 (1980) 3219-3288


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Elucidating Chemical Reactivity by Pattern Recognition Methods"

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Modelle zur Beschreibung elektronischer Effekte in -Systemen und ihr Einsatz in der Modellierung der elektrophilen aromatischen Substitution"

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Residual Electronegativity - Am Empirical Quantification of Polar Influences and Its Application to the Proton Affinity of Amines"

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Berechnung der Ladungsverteilung in konjugierten Systemen durch eine Quantifizierung des Mesomeriekonzeptes"

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Computer-Chemie-Centrum, Universität Erlangen


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Reference Manual for Chemistry-Aware Tcl"

Computer-Chemie-Centrum, Universität Erlangen


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Version 1.12 (1995) Computer-Chemie-Centrum, Universität Erlangen


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Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited"

J. Chem. Inf. Comput. Sci. 32 (1992) 244-255


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The standard molecular data format (SMD format) as an integration tool in computer chemistry"

J. Chem. Inf. Comput. Sci. 29 (1989) 1-5


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Draft Specification for Revised Version of the Standard Molecular Data (SMD) Format"

J. Chem. Inf. Comput. Sci. 30 (1990) 81-96


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The Protein Data Bank: A Computer-based Archival File for Macromolecular Structures"

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Basis der automatischen Erzeugung der Substitutionsmuster list die Identifizierung der verschiedenen Verbindungen durch ihre Hashcodes. Siehe dazu [Ihlenfeldt_1994_793][57].

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Systematic Synthesis Design. 8. Generation of Reaction Sequences"

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Organic Synthesis Planning: A New Algorithm For Strategic Bond Perception"

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General Methods of Synthetic Analysis. Strategic Bond Disconnections for Bridged Polycyclic Structures"

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Computer-Assisted Synthetic Analysis. Methods for Machine Generation of Synthetic Intermediates Involving Multistep Look-Ahead"

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Computer-Assisted Synthetic Analysis. Techniques for Efficient Long-Range Retrosynthetic Searches applied to the Robinson Annulation Process"

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Computer-assisted synthetic analysis. Long-range search procedures for antithetic simplification of complex targets by application of the halolactonization transform"

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Cationic polyene cyclizations. A computer assisted synthesis approach"

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Computer-assisted synthetic analysis. Performance of long-range strategies for stereoselective olefin synthesis"

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Advanced Organic Chemistry - Reactions, Mechanisms, and Structure"

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Potent and selective inhibition of HIV-1 replication in vitro by a novel series of TIBO derivatives"

Nature 343 (1990) 470-474


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A Four-Step Synthesis of TIBO R82150"

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Org. React. 10 (1959) 179-560


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Stereochemistry of the Base-Promoted Michael Addition Reaction"

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Acyclic Stereocontrol in Michael Addition Reactions of Enamines and Enol Ethers"

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Additions to and Substitutions at C-C -Bonds"

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ChemInform - An Integrated Information System on Chemical Reactions"

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ChemInform - Vom gedruckten Referatedienst zur Reaktionendatenbank"

Nach. Chem. Tech. Lab. 40 (1992) 1114-1120


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Automatic extraction of chemical knowledge from organic reaction data: Addition of carbon-hydrogen bonds to carbon-carbon double bonds"

J. Org. Chem. 60 (1995) 8002-8014


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1,5-Diazabicyclo[3.3.0]octadienediones (9,10-dioxabimanes). Strongly fluorescent syn isomers"

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Synthesis and in vitro activity of various derivatives of a novel thromboxane receptor antagonist, (+-)-(5Z)-7-[3-endo[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-exo-yl]heptenoic acid"

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Vinyl Sulfonyl Esters and Amides in the Synthesis of Substituted -Sultams and -Sultones"

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Deslongchamps, P.

The Concept Of Strategy In Organic Synthesis"

Aldrichimica Acta 17 (1984) 59-71


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Zhao, R. B.; Zhao, Y. F.; Song, G. Q.; Wu, Y. L.

Double Michael reaction of carvone and its derivatives"

Tetrahedron Lett. 31 (1990) 3559-3562


[123]
Die Programme das CACTVS Systems sind frei über das World Wide Web (unter http://www2.chemie.uni-erlangen.de/cactvs/) erhältlich. Siehe auch:
Ihlenfeldt, W.D.; Takahashi, Y.; Abe, H.; Gasteiger, J.

Rapid and Portable Development of Visualization Tools for Computational Chemistry Applications"

J. Mol. Graphics