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Artificial intelligence in chemistry : structure elucidation and simulation of organic reactions /
This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design. The book provides a brief history of...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés Polaco |
| Publicado: |
Amsterdam ; New York : Warszawa :
Elsevier ; Polish Scientific Publishers,
1991.
|
| Colección: | Studies in physical and theoretical chemistry ;
73. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
MARC
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| 003 | OCoLC | ||
| 005 | 20231117044505.0 | ||
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| 100 | 1 | |a Hippe, Z., |d 1930- | |
| 245 | 1 | 0 | |a Artificial intelligence in chemistry : |b structure elucidation and simulation of organic reactions / |c Zdzis�aw Hippe ; [translated by Andrzej Przyjazny]. |
| 260 | |a Amsterdam ; |a New York : |b Elsevier ; |a Warszawa : |b Polish Scientific Publishers, |c 1991. | ||
| 300 | |a 1 online resource (xii, 278 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Studies in physical and theoretical chemistry ; |v 73 | |
| 500 | |a Translated from Polish. | ||
| 504 | |a "Compilation of references on computer systems for structure elucidation and prediction of organic reactions" (p. [261]-270) | ||
| 504 | |a Includes bibliographical references and indexes. | ||
| 506 | |3 Use copy |f Restrictions unspecified |2 star |5 MiAaHDL | ||
| 533 | |a Electronic reproduction. |b [Place of publication not identified] : |c HathiTrust Digital Library, |d 2010. |5 MiAaHDL | ||
| 538 | |a Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002. |u http://purl.oclc.org/DLF/benchrepro0212 |5 MiAaHDL | ||
| 583 | 1 | |a digitized |c 2010 |h HathiTrust Digital Library |l committed to preserve |2 pda |5 MiAaHDL | |
| 588 | 0 | |a Print version record. | |
| 505 | 0 | |a Front Cover; Artificial Intelligence in Chemistry: Structure Elucidation and Simulation of Organic Reactions; Copyright Page; Preface; Table of Contents; Introduction; Part 1: Introduction to problem-solving in artificial intelligence; Chapter 1. Historical and Bibliographical Remarks; REFERENCES; SUGGESTED READINGS; Chapter 2. Problem-Solving and Artificial Intelligence; 2.1. Deduction. An Example of Elucidation of the Structure of Organic Compounds; 2.2. Synthesis of Sequence of Actions. A Case Study of Computer-Assisted Design of Organic Syntheses; REFERENCES; SUGGESTED READINGS | |
| 505 | 8 | |a Chapter 3. Knowledge and State-Space Representation. Unordered Search Methods3.1. Knowledge Representation with Rules; 3.2. Knowledge Representation with Trees; 3.3. Logical Representation Schemes; 3.4. Knowledge Representation with Frames; 3.5. Knowledge Representation with Graphs; 3.6. Unordered Search Methods; REFERENCES; SUGGESTED READINGS; Chapter 4. Problem Reduction. Ordered Search Methods; 4.1. A Generalization of Backward Chaining; 4.2. Difference Reduction; 4.3. Ordered Search Methods; REFERENCES; Chapter 5. Expert Systems; 5.1. Architecture of Expert Systems | |
| 505 | 8 | |a 5.2. Advantages of Expert Systems Technology5.3. Expert Systems Tools; 5.4. Limitations of Expert Systems; REFERENCES ; SUGGESTED READINGS; Part 2: Problem-solving in structure elucidation; Chapter 6. Heuristic Interpretation of One Spectrum; 6.1. The Library Search Algorithm; 6.2. The Network Algorithm; 6.3. The Vector Algorithm; 6.4. Characteristic of Solution Space of the Problem of Structure Elucidation. Heuristic Pruning of Results of Analysis. Possibilities of Recognition of Complete Structure; REFERENCES; Chapter 7. Heuristic Interpretation of Set of Spectra | |
| 505 | 8 | |a 7.1. Problem-Solving Strategy of Integrated Systems for Structure Elucidation7.2. Independent Identification by Artificial Intelligence (IIAI); 7.3. Future Goals; REFERENCES; Part 3: Problem-solving in synthesis design; Chapter 8. Basic Concepts in Computer-Assisted Design of Syntheses: Principal Components of CASD Systems; 8.1. Characteristic of Computer Systems for CASD; REFERENCES; Chapter 9. Structure Perception; 9.1. Elementary Problems of Presentation of Structural Codes in Canonical Form; 9.2. Algorithms of Perception of Structural Fragments in Organic Molecules; REFERENCES | |
| 505 | 8 | |a SUGGESTED READINGSChapter 10. Selection of Strategy in CASD. Evaluation of Reactions and Synthetic Pathways; 10.1. Selection of Optimum Strategy of Synthesis in CASD; 10.2. Evaluation of Quality of Generated Synthetic Pathways; 10.3. Future Developments; REFERENCES; Appendix A: Glossary of Terms; Appendix B: Compilation of References on Computer Systems for Structure Elucidation And Prediction of Organic Reactions; Indexes | |
| 520 | |a This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design. The book provides a brief history of AI as a branch of computer science. It also gives an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion on many questions that may be raised by modern chemists wishing to apply compute. | ||
| 546 | |a English. | ||
| 650 | 0 | |a Chemical structure |x Data processing. | |
| 650 | 0 | |a Organic compounds |x Synthesis |x Data processing. | |
| 650 | 0 | |a Artificial intelligence. | |
| 650 | 6 | |a Structure chimique |0 (CaQQLa)201-0015098 |x Informatique. |0 (CaQQLa)201-0380011 | |
| 650 | 6 | |a Compos�es organiques |0 (CaQQLa)201-0020323 |x Synth�ese |0 (CaQQLa)201-0020323 |x Informatique. |0 (CaQQLa)201-0380011 | |
| 650 | 6 | |a Intelligence artificielle. |0 (CaQQLa)201-0008626 | |
| 650 | 7 | |a artificial intelligence. |2 aat |0 (CStmoGRI)aat300251574 | |
| 650 | 7 | |a Artificial intelligence |2 fast |0 (OCoLC)fst00817247 | |
| 650 | 7 | |a Chemical structure |x Data processing |2 fast |0 (OCoLC)fst00853216 | |
| 650 | 7 | |a Organic compounds |x Synthesis |x Data processing |2 fast |0 (OCoLC)fst01047669 | |
| 650 | 7 | |a Chemie |2 gnd |0 (DE-588)4009816-3 | |
| 650 | 7 | |a K�unstliche Intelligenz |2 gnd |0 (DE-588)4033447-8 | |
| 650 | 7 | |a Chemische Reaktion |2 gnd |0 (DE-588)4009853-9 | |
| 650 | 7 | |a Simulation |2 gnd |0 (DE-588)4055072-2 | |
| 650 | 7 | |a Organische Synthese |2 gnd |0 (DE-588)4075695-6 | |
| 650 | 7 | |a Datenverarbeitung |2 gnd |0 (DE-588)4011152-0 | |
| 650 | 7 | |a Chemische Struktur |2 gnd |0 (DE-588)4009857-6 | |
| 650 | 1 | 7 | |a Kunstmatige intelligentie. |2 gtt |
| 650 | 1 | 7 | |a Simulatie. |2 gtt |
| 650 | 1 | 7 | |a Chemische structuur. |2 gtt |
| 653 | 0 | |a Chemistry |a Role of |a Artificial intelligence | |
| 773 | 0 | |t Online access: OAPEN DOAB Directory of Open Access Books. | |
| 776 | 0 | 8 | |i Print version: |a Hippe, Z., 1930- |t Artificial intelligence in chemistry. |d Amsterdam ; New York : Elsevier ; Warszawa : Polish Scientific Publishers, 1991 |w (DLC) 90003328 |w (OCoLC)21442929 |
| 830 | 0 | |a Studies in physical and theoretical chemistry ; |v 73. | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780444987464 |z Texto completo |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/bookseries/01676881/73 |z Texto completo |