Computer-aided organic synthesis.
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[1] Richard D. Cramer,et al. Computer-assisted synthetic analysis for complex molecules. Methods and procedures for machine generation of synthetic intermediates , 1972 .
[2] Peter Norvig,et al. Artificial Intelligence: A Modern Approach , 1995 .
[3] Steven H. Bertz,et al. Convergence, molecular complexity, and synthetic analysis , 1982 .
[4] Stephen Hanessian,et al. The psychobiological basis of heuristic synthesis planning - man, machine and the chiron approach , 1990 .
[5] Gerta Rücker,et al. Organic Synthesis - Art or Science? , 2004, J. Chem. Inf. Model..
[6] W. L. Jorgensen,et al. Computer-assisted mechanistic evaluation of organic reactions. 1. Overview , 1980 .
[7] P. Kollman,et al. Encyclopedia of computational chemistry , 1998 .
[8] A. Johnson,et al. Some recent progress in the development of the LHASA computer system for organic synthesis design: Starting‐material‐oriented retrosynthetic analysis , 1992 .
[9] Martin A. Ott,et al. Long-Range Strategies in the LHASA Program: The Quinone Diels-Alder Transform , 1997, J. Chem. Inf. Comput. Sci..
[10] William L. Jorgensen,et al. Computer Assisted Mechanistic Evaluations of Organic Reactions. 26. Diastereoselective Additions: Cram's Rule , 1995 .
[11] René Barone,et al. A New and Simple Approach to Chemical Complexity. Application to the Synthesis of Natural Products , 2001, J. Chem. Inf. Comput. Sci..
[12] W. Todd Wipke,et al. Computer-Assisted Synthetic Analysis at Merck , 1980, J. Chem. Inf. Comput. Sci..
[13] A F Sanders,et al. Empirical Explorations of SYNCHEM , 1977, Science.
[14] Dragos Horvath,et al. Reactivity Prediction Models Applied to the Selection of Novel Candidate Building Blocks for High-Throughput Organic Synthesis of Combinatorial Libraries , 1999, J. Chem. Inf. Comput. Sci..
[15] Ekaterina V. Gordeeva,et al. Computer-assisted Synthesis , 1987 .
[16] E. J. Corey,et al. Algorithm for machine perception of synthetically significant rings in complex cyclic organic structures , 1972 .
[17] Thomas Elbert,et al. Pattern of focal γ-bursts in chess players , 2001, Nature.
[18] Johann Gasteiger,et al. New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions , 2001, J. Chem. Inf. Comput. Sci..
[19] Herbert L. Gelernter,et al. Distributed Heuristic Synthesis Search , 1998, J. Chem. Inf. Comput. Sci..
[20] J. Zupan,et al. Neural Networks in Chemistry , 1993 .
[21] P. Hodge,et al. Protective groups in organic synthesis , 1981 .
[22] Johann Gasteiger,et al. Computer‐Assisted Planning of Organic Syntheses: The Second Generation of Programs , 1996 .
[23] Steven H. Bertz,et al. The first general index of molecular complexity , 1981 .
[24] Steven H. Bertz,et al. Complexity of synthetic routes: Linear, convergent and reflexive syntheses , 2003 .
[25] Michel Chanon,et al. HOLOWin: a fast way to search for tandem reactions with computer. Application to the taxane framework , 1996 .
[26] Murray Campbell,et al. Deep Blue , 2002, Artif. Intell..
[27] David Harel,et al. Computers Ltd - what they really can't do , 2000 .
[28] E. Corey,et al. Computer-assisted analysis in organic synthesis. , 1985, Science.
[29] G. A. Petersson,et al. General methods of synthetic analysis. Strategic bond disconnections for bridged polycyclic structures , 1975 .
[30] L M Adleman,et al. Molecular computation of solutions to combinatorial problems. , 1994, Science.
[31] Johann Gasteiger,et al. EROS A computer program for generating sequences of reactions , 1978 .
[32] Alan K. Long,et al. Computer-assisted synthetic analysis. Performance of tactical combinations of transforms , 1994, J. Chem. Inf. Comput. Sci..
[33] R. Herges,et al. Reaction Planning: Computer-Aided Discovery of a Novel Elimination Reaction , 1992, Science.
[34] Chyouhwa Chen,et al. Building and refining a knowledge base for synthetic organic chemistry via the methodology of inductive and deductive machine learning , 1990, J. Chem. Inf. Comput. Sci..
[35] Malcolm Bersohn,et al. Computers and organic synthesis , 1976 .
[36] Ivar Ugi,et al. Competing Concepts in CAOS , 1992 .
[37] Jin Xu,et al. DNA Solution of a Graph Coloring Problem , 2002, J. Chem. Inf. Comput. Sci..
[38] Martin A. Ott,et al. Computer tools for reaction retrieval and synthesis planning in organic chemistry. A brief review of their history, methods, and programs , 1992 .
[39] Yutaka Endo,et al. Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition , 2003, J. Chem. Inf. Comput. Sci..
[40] E J Corey,et al. Computer-assisted design of complex organic syntheses. , 1969, Science.
[41] James B. Hendrickson,et al. Comprehensive System for Classification and Nomenclature of Organic Reactions , 1997, J. Chem. Inf. Comput. Sci..
[42] W. T. Wipke,et al. Computer-assisted synthetic analysis. Facile man-machine communication of chemical structure by interactive computer graphics , 1972 .
[43] William L. Jorgensen,et al. Computer-assisted synthetic analysis. Synthetic strategies based on appendages and the use of reconnective transforms , 1976 .
[44] John R. Koza,et al. Genetic Programming III: Automatic Pro-gramming and Automatic Circuit Synthesis , 2001 .
[45] Nikolai S. Zefirov,et al. Approaching problems of molecular design with the aid of the computer. 16. Application of the FLAMINGOES program system to selected synthetic problems , 1988 .
[46] Alan K. Long,et al. Computer-assisted synthetic analysis. Techniques for efficient long-range retrosynthetic searches applied to the Robinson annulation process , 1980 .
[47] H. W. Scheeren,et al. A LHASA ANALYSIS OF TAXOL , 1994 .
[48] Leo J. Joncas,et al. Computer-assisted teaching of organic synthesis , 1980 .
[49] David A. Pensak,et al. Computer-assisted synthetic analysis. Methods for machine generation of synthetic intermediates involving multistep look-ahead , 1974 .
[50] Johann Mulzer,et al. Computer-Assisted Synthetic Analysis. Long-Range Search Procedures for Antithetic Simplification of Complex Targets by Application of the Halolactonization Transform , 1980, J. Chem. Inf. Comput. Sci..
[51] Johann Gasteiger,et al. COMPUTER-ASSISTED DESIGN OF SYNTHESES FOR HETEROCYCLIC COMPOUNDS , 1995 .
[52] Kimito Funatsu,et al. A Novel Approach to Retrosynthetic Analysis Using Knowledge Bases Derived from Reaction Databases , 1999, J. Chem. Inf. Comput. Sci..
[53] Michel Chanon,et al. Computer‐Aided Organic Synthesis – SESAM: A Simple Program to Unravel “Hidden” Restructured Starting Materials Skeleta in Complex Targets , 1998 .
[54] W. T. Wipke,et al. Techniques for perception by a computer of synthetically significant structural features in complex molecules , 1972 .
[55] J. B. Hendrickson. Organic Synthesis in the Age of Computers , 1990 .
[56] Rainer Moll,et al. Reaction Databases and Synthesis Planning-Combined Application and Synergetic Effects , 1997, J. Chem. Inf. Comput. Sci..
[57] P N Judson,et al. Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR. , 1999, SAR and QSAR in environmental research.
[58] James B. Hendrickson,et al. A logic-based program for synthesis design , 1985 .
[59] T. Takabatake,et al. Computer-executed synthesis planning, a progress report , 1992 .
[60] Philip N. Judson,et al. Starting material oriented retrosynthetic analysis in the LHASA program. 1. General description , 1992, J. Chem. Inf. Comput. Sci..
[61] Bruce Pandolfini,et al. Kasparov and Deep Blue: The Historic Chess Match Between Man and Machine , 1997 .
[62] E. Corey,et al. Computer-assisted synthetic analysis. Selection of protective groups for multistep organic syntheses , 1985 .
[63] F E Cohen,et al. Modeling protein-ligand complexes. , 1996, Current opinion in structural biology.
[64] P. Bador,et al. LES SYSTEMES INFORMATIQUES DE RECHERCHE D'INFORMATION SUR LES REACTIONS CHIMIQUES ET LES SYSTEMES DE SYNTHESE ASSISTEE PAR ORDINATEUR , 1992 .
[65] W. Todd Wipke,et al. Simulation and evaluation of chemical synthesis. Computer representation and manipulation of stereochemistry , 1974 .
[66] Edward S. Blurock. Computer-aided synthesis design at RISC-Linz: automatic extraction and use of reaction classes , 1990, J. Chem. Inf. Comput. Sci..
[67] Rainer Herges,et al. Computer-assisted solution of chemical problems : the historical development and the present state of the art of a new discipline of chemistry , 1993 .
[68] E. Corey. General methods for the construction of complex molecules , 1967 .
[69] W. Todd Wipke,et al. Artificial intelligence in organic synthesis. SST: starting material selection strategies. An application of superstructure search , 1984, J. Chem. Inf. Comput. Sci..
[70] S. Krishnan,et al. Simulation and Evaluation of Chemical Synthesis - SECS: An Application of Artificial Intelligence Techniques , 1978, Artif. Intell..
[71] Philip L. Fuchs,et al. Increase in intricacy—a tool for evaluating organic syntheses , 2001 .
[72] Krishna K. Agarwal,et al. Application of chemical transforms in EYNCHEMZ: a computer program for organic synthesis route discovery , 1978, Comput. Chem..