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81055 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20250920171849.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS |
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| fixed length control field |
m o d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| Source |
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| National bibliography number |
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| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9783527806539 |
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| Canceled/invalid ISBN |
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| Terms of availability |
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| Qualifying information |
electronic book |
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| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER |
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| Incorrect ISSN |
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| International Standard Serial Number |
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| 024 ## - OTHER STANDARD IDENTIFIER |
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| Additional codes following the standard number or code |
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| Terms of availability |
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| 028 ## - PUBLISHER OR DISTRIBUTOR NUMBER |
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| Publisher or distributor number |
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| Source |
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| 029 ## - OTHER SYSTEM CONTROL NUMBER (OCLC) |
|---|
| OCLC library identifier |
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| -- |
CHVBK;CHNEW;GBVCP |
| System control number |
516430556;001003294;102730818X |
| 032 ## - POSTAL REGISTRATION NUMBER |
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| Postal registration number |
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| Source agency assigning number |
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| 035 ## - SYSTEM CONTROL NUMBER |
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| System control number |
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(OCoLC)1031999560;(OCoLC)on1031999560 |
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| 037 ## - SOURCE OF ACQUISITION |
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| 040 ## - CATALOGING SOURCE |
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| Description conventions |
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rda;pn |
| Original cataloging agency |
N$T |
| Modifying agency |
DG1;N$T;UAB;UPM;CNCGM;OCLCF;OCLCQ;RECBK;MERER;OCLCQ;CDN;WYU |
| Language of cataloging |
eng |
| Transcribing agency |
N$T |
| 041 ## - LANGUAGE CODE |
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| Language code of librettos |
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| 043 ## - GEOGRAPHIC AREA CODE |
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| Geographic area code |
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| 045 ## - TIME PERIOD OF CONTENT |
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| Formatted 9999 B.C. through C.E. time period |
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| 049 ## - LOCAL HOLDINGS (OCLC) |
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| Holding library |
MAIN |
| 050 ## - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
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| -- |
QD39.3.E46 |
| Supplementary class number (MU) [OBSOLETE] |
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| Item number |
A66 2018eb2 |
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0 |
| 051 ## - LIBRARY OF CONGRESS COPY, ISSUE, OFFPRINT STATEMENT |
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| Copy information |
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| 055 ## - CLASSIFICATION NUMBERS ASSIGNED IN CANADA |
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| 060 ## - NATIONAL LIBRARY OF MEDICINE CALL NUMBER |
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| 070 ## - NATIONAL AGRICULTURAL LIBRARY CALL NUMBER |
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| 072 ## - SUBJECT CATEGORY CODE |
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| Source |
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| -- |
bisacsh |
| -- |
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| Subject category code |
SCI |
| Subject category code subdivision |
13020 |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
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542/.85 |
| -- |
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| Item number |
223 |
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| 084 ## - OTHER CLASSIFICATION NUMBER |
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| Number source |
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| 086 ## - GOVERNMENT DOCUMENT CLASSIFICATION NUMBER |
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| Number source |
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| Classification number |
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| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) |
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| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) |
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| Local cutter number (OCLC) ; Book number/undivided call number, CALL (RLIN) |
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| 092 ## - LOCALLY ASSIGNED DEWEY CALL NUMBER (OCLC) |
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| Filing suffix |
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| 100 ## - MAIN ENTRY--PERSONAL NAME |
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| Personal name |
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| Dates associated with a name |
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| Numeration |
4 |
| Affiliation |
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| Titles and words associated with a name |
0 |
| Fuller form of name |
16 |
| 110 ## - MAIN ENTRY--CORPORATE NAME |
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| Relator term |
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| Corporate name or jurisdiction name as entry element |
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| 111 ## - MAIN ENTRY--MEETING NAME |
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| Meeting name or jurisdiction name as entry element |
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| Date of meeting or treaty signing |
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| Number [OBSOLETE] |
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| Number of part/section/meeting |
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| 130 ## - MAIN ENTRY--UNIFORM TITLE |
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| Version |
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| -- |
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| Uniform title |
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| Name of part/section of a work |
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| Date of a work |
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| Language of a work |
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| Form subheading |
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| 210 ## - ABBREVIATED TITLE |
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| Abbreviated title |
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| -- |
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| Qualifying information |
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| 222 ## - KEY TITLE |
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| Key title |
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| Qualifying information |
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| 240 ## - UNIFORM TITLE |
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| Version |
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| -- |
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| Uniform title |
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| Medium of performance for music |
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| Miscellaneous information |
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| Number of part/section of a work |
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| Date of a work |
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| Language of a work |
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| Arranged statement for music |
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| Name of part/section of a work |
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| 245 #0 - TITLE STATEMENT |
|---|
| Title |
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| -- |
Applied chemoinformatics : |
| Designation of section section/part/series: (SE) [OBSOLETE] |
|
| Remainder of title |
achievements and future opportunities / |
| Number of part/section of a work |
|
| Statement of responsibility, etc. |
edited by Thomas Engel and Johann Gasteiger. |
| Medium |
6 |
| Name of part/section of a work |
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| 246 ## - VARYING FORM OF TITLE |
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| Title proper/short title |
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| Remainder of title |
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| Display text |
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| Date or sequential designation |
6 |
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| 250 ## - EDITION STATEMENT |
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| Linkage |
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| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
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| Place of manufacture |
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| Name of publisher, distributor, etc. |
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| 264 ## - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE |
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| Materials specified |
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| -- |
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| Place of production, publication, distribution, manufacture |
Weinheim, Germany : |
| -- |
|
| Name of producer, publisher, distributor, manufacturer |
Wiley-VCH, |
| Date of production, publication, distribution, manufacture, or copyright notice |
[2018]46 |
| 300 ## - PHYSICAL DESCRIPTION |
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| Accompanying material |
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| -- |
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| Dimensions |
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| Extent |
1 online resource (xxvi, 617 pages). |
| Other physical details |
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| 310 ## - CURRENT PUBLICATION FREQUENCY |
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| Current publication frequency |
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| Date of current publication frequency |
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| Former publication frequency |
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| 336 ## - CONTENT TYPE |
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| Content type code |
txt |
| Content type term |
text |
| Source |
rdacontent |
| 337 ## - MEDIA TYPE |
|---|
| Materials specified |
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0 |
| Media type code |
c |
| Media type term |
computer |
| Source |
rdamedia |
| 338 ## - CARRIER TYPE |
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| Materials specified |
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| -- |
0 |
| Carrier type code |
cr |
| Carrier type term |
online resource |
| Source |
rdacarrier |
| 340 ## - PHYSICAL MEDIUM |
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0 |
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| 344 ## - SOUND CHARACTERISTICS |
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| 347 ## - DIGITAL FILE CHARACTERISTICS |
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| Source |
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| File type |
0 |
| 362 ## - DATES OF PUBLICATION AND/OR SEQUENTIAL DESIGNATION |
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| Dates of publication and/or sequential designation |
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| -- |
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| 385 ## - AUDIENCE CHARACTERISTICS |
|---|
| Demographic group term |
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| -- |
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| Audience term |
2 |
| 410 ## - SERIES STATEMENT/ADDED ENTRY--CORPORATE NAME [OBSOLETE, CAN/MARC], [LOCAL, USA] |
|---|
| Title of a work |
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| -- |
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| Subordinate unit |
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| Corporate name or jurisdiction name as entry element |
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| 440 ## - SERIES STATEMENT/ADDED ENTRY--TITLE |
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| Name of part/section of a work |
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| -- |
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| Title |
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| International Standard Serial Number |
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| Volume/sequential designation |
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| 490 ## - SERIES STATEMENT |
|---|
| Series statement |
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| -- |
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| International Standard Serial Number |
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| Volume/sequential designation |
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| 500 ## - GENERAL NOTE |
|---|
| General note |
|
| -- |
|
| -- |
|
| -- |
|
| -- |
56 |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc. note |
|
| -- |
Includes bibliographical references and index. |
| -- |
|
| 505 ## - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
|
| -- |
Introduction / Thomas Engel, Johann Gasteiger -- QSAR/QSPR / Wolfgang Sippl, Dina Robaa -- Prediction of Physicochemical Properties of Compounds / Igor V Tetko, Aixia Yan, Johann Gasteiger -- Chemical Reactions -- Chemical Reactions. Chemical Reactions - An Introduction / Johann Gasteiger -- Reaction Prediction and Synthesis Design / Jonathan M Goodman -- Explorations into Biochemical Pathways / Oliver Sacher, Johann Gasteiger -- Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation / Joao Aires de Sousa -- Drug Discovery: An Overview / Lothar Terfloth, Simon Spycher, Johann Gasteiger -- Bridging Information on Drugs, Targets, and Diseases / Andreas Steffen, Bertram Weiss -- Chemoinformatics in Natural Product Research / Teresa Kaserer, Daniela Schuster, Judith M Rollinger -- Chemoinformatics of Chinese Herbal Medicines / Jun Xu -- PubChem / Wolf-D Ihlenfeldt -- Pharmacophore Perception and Applications / Thomas Seidel, Gerhard Wolber, Manuela S Murgueitio -- Prediction, Analysis, and Comparison of Active Sites / Andrea Volkamer, Mathias M Behren, Stefan Bietz, Matthias Rarey -- Structure-Based Virtual Screening / Adrian Kolodzik, Nadine Schneider, Matthias Rarey -- Prediction of ADME Properties / Aixia Yan -- Prediction of Xenobiotic Metabolism / Anthony Long, Ernest Murray -- Chemoinformatics at the CADD Group of the National Cancer Institute / Megan L Peach, Marc C Nicklaus -- Uncommon Data Sources for QSAR Modeling / Alexander Tropsha -- Future Perspectives of Computational Drug Design / Gisbert Schneider -- Computational Approaches in Agricultural Research / Klaus-Jürgen Schleifer -- Chemoinformatics in Modern Regulatory Science / Chihae Yang, James F Rathman, Aleksey Tarkhov, Oliver Sacher, Thomas Kleinoeder, Jie Liu, Thomas Magdziarz, Aleksandra Mostraq, Joerg Marusczyk, Darshan Mehta, Christof Schwab, Bruno Bienfait -- Chemometrics in Analytical Chemistry / Anita Rácz, Dávid Bajusz, Károly Héberger -- Chemoinformatics in Food Science / Andrea Peña-Castillo, Oscar Méndez-Lucio, John R Owen, Karina Martínez-Mayorga, José L Medina-Franco -- Computational Approaches to Cosmetics Products Discovery / Soheila Anzali, Frank Pflücker, Lilia Heider, Alfred Jonczyk -- Applications in Materials Science / Tu C Le, David A Winkler -- Process Control and Soft Sensors / Kimito Funatsu -- Future Directions / Johann Gasteiger. |
| -- |
|
| Title |
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| Miscellaneous information |
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| Statement of responsibility |
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| 506 ## - RESTRICTIONS ON ACCESS NOTE |
|---|
| Terms governing access |
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| -- |
5 |
| 510 ## - CITATION/REFERENCES NOTE |
|---|
| Name of source |
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| -- |
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| International Standard Serial Number |
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| 520 ## - SUMMARY, ETC. |
|---|
| Expansion of summary note |
|
| -- |
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and application-oriented approach to the topic, providing up-to-date and focused information on the range of applications in this exciting field. The authors explain methods and software tools, such that users will not only learn the basics but also how to use the different software packages available, including tools for correct data interpretation and structure simulation, right up to computer-guided library design for medicinal chemistry. They also describe applications in such different fields as structure spectra correlations, virtual screening, prediction of active sites, library design, and toxicity modelling. The book is aimed at advanced students as well as lecturers, but also at application-oriented scientists wishing to acquire the skills needed to benefit from a simplified workflow via chemoinformatics. Together with the corresponding textbook Chemoinformatics - A Textbook Bridging to Bioinformatics on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field. |
| Assigning source |
|
| Summary, etc. |
Annotation |
| Uniform Resource Identifier |
<a href=""></a> |
| 521 ## - TARGET AUDIENCE NOTE |
|---|
| Target audience note |
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| -- |
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| Source |
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| 533 ## - REPRODUCTION NOTE |
|---|
| Physical description of reproduction |
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| -- |
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| Type of reproduction |
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| Date of reproduction |
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| Place of reproduction |
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| Note about reproduction |
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| Agency responsible for reproduction |
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| 540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE |
|---|
| Authorization |
|
| -- |
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| Terms governing use and reproduction |
5 |
| 542 ## - INFORMATION RELATING TO COPYRIGHT STATUS |
|---|
| Copyright date |
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| -- |
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| Copyright statement |
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| 546 ## - LANGUAGE NOTE |
|---|
| Language note |
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| -- |
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| Information code or alphabet |
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| 583 ## - ACTION NOTE |
|---|
| Institution to which field applies |
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| -- |
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| Action agent |
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| Time/date of action |
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| Action |
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| Action identification |
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| 588 ## - SOURCE OF DESCRIPTION NOTE |
|---|
| Source of description note |
Online resource; title from PDF title page (EBSCO, viewed April 24, 2018) |
| 590 ## - LOCAL NOTE (RLIN) |
|---|
| Local note |
|
| -- |
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| Provenance (VM) [OBSOLETE] |
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| 600 ## - SUBJECT ADDED ENTRY--PERSONAL NAME |
|---|
| Numeration |
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| -- |
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| Form subdivision |
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| Title of a work |
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| Titles and other words associated with a name |
2 |
| Fuller form of name |
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| Personal name |
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| General subdivision |
0 |
| Geographic subdivision |
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| Dates associated with a name |
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| Chronological subdivision |
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| 610 ## - SUBJECT ADDED ENTRY--CORPORATE NAME |
|---|
| Subordinate unit |
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| -- |
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| Form subdivision |
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| Title of a work |
2 |
| General subdivision |
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| Corporate name or jurisdiction name as entry element |
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| Form subheading |
0 |
| Name of part/section of a work |
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| Geographic subdivision |
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| Date of meeting or treaty signing |
6 |
| Chronological subdivision |
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| 611 ## - SUBJECT ADDED ENTRY--MEETING NAME |
|---|
| Meeting name or jurisdiction name as entry element |
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| -- |
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| Date of meeting or treaty signing |
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| Number of part/section/meeting |
2 |
| Location of meeting |
0 |
| Form subdivision |
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| 630 ## - SUBJECT ADDED ENTRY--UNIFORM TITLE |
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| General subdivision |
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| -- |
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| Uniform title |
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| Date of treaty signing |
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| Name of part/section of a work |
20 |
| Form subdivision |
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| 648 ## - SUBJECT ADDED ENTRY--CHRONOLOGICAL TERM |
|---|
| Source of heading or term |
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| -- |
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| Chronological term |
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| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| General subdivision |
|
| -- |
|
| Topical term or geographic name entry element |
Cheminformatics. |
| Active dates |
|
| Topical term following geographic name entry element |
|
| Geographic subdivision |
|
| Chronological subdivision |
20 |
| Form subdivision |
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| 651 ## - SUBJECT ADDED ENTRY--GEOGRAPHIC NAME |
|---|
| General subdivision |
|
| -- |
|
| Geographic name |
|
| Chronological subdivision |
20 |
| Form subdivision |
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| Geographic subdivision |
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| 655 ## - INDEX TERM--GENRE/FORM |
|---|
| Authority record control number or standard number |
|
| -- |
|
| Genre/form data or focus term |
Electronic books. |
| Chronological subdivision |
2 |
| Geographic subdivision |
|
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| Relationship information |
|
| -- |
|
| Title of a work |
|
| Titles and other words associated with a name |
Dr., |
| Numeration |
|
| Version |
1 |
| Fuller form of name |
(Johann), |
| Date of a work |
|
| Form subheading |
40 |
| Name of part/section of a work |
|
| Dates associated with a name |
|
| Relator term |
editor.;editor. |
| Personal name |
Engel, Thomas,;Gasteiger, J. |
| Language of a work |
|
| Number of part/section of a work |
6 |
| 710 ## - ADDED ENTRY--CORPORATE NAME |
|---|
| Subordinate unit |
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| -- |
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| Title of a work |
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| Location of meeting |
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| Relator term |
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| Date of a work |
|
| Form subheading |
40 |
| Name of part/section of a work |
|
| Date of meeting or treaty signing |
5 |
| Language of a work |
|
| Number of part/section/meeting |
6 |
| Corporate name or jurisdiction name as entry element |
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| 711 ## - ADDED ENTRY--MEETING NAME |
|---|
| Meeting name or jurisdiction name as entry element |
|
| -- |
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| Date of meeting or treaty signing |
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| Number (BK CF MP MU SE VM MX) [OBSOLETE] |
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| Number of part/section/meeting |
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| Title of a work |
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| Location of meeting |
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| 730 ## - ADDED ENTRY--UNIFORM TITLE |
|---|
| Version |
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| -- |
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| Uniform title |
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| Date of treaty signing |
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| Number of part/section of a work |
|
| Name of part/section of a work |
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| Date of a work |
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| Language of a work |
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| Form subheading |
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| 740 ## - ADDED ENTRY--UNCONTROLLED RELATED/ANALYTICAL TITLE |
|---|
| -- |
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| -- |
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| Uncontrolled related/analytical title |
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| -- |
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| -- |
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| Number of part/section of a work |
|
| -- |
6 |
| 753 ## - SYSTEM DETAILS ACCESS TO COMPUTER FILES |
|---|
| Operating system |
|
| -- |
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| Make and model of machine |
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| 767 ## - TRANSLATION ENTRY |
|---|
| Title |
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| -- |
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| Record control number |
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| 770 ## - SUPPLEMENT/SPECIAL ISSUE ENTRY |
|---|
| Title |
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| -- |
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| Record control number |
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| International Standard Serial Number |
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| 773 ## - HOST ITEM ENTRY |
|---|
| Main entry heading |
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| -- |
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| Place, publisher, and date of publication |
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| Related parts |
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| Material-specific details |
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| Title |
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| Edition |
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| -- |
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| Relationship information |
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| Abbreviated title |
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| 775 ## - OTHER EDITION ENTRY |
|---|
| Title |
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| -- |
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| Record control number |
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| International Standard Serial Number |
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| 776 ## - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Uniform title |
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| -- |
|
| Main entry heading |
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| Place, publisher, and date of publication |
|
| Edition |
|
| International Standard Book Number |
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| Relationship information |
|
| Title |
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| International Standard Serial Number |
|
| Physical description |
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| Qualifying information |
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| Record control number |
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| 780 ## - PRECEDING ENTRY |
|---|
| International Standard Serial Number |
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| -- |
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| Main entry heading |
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| Related parts |
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| Title |
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| Record control number |
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| 785 ## - SUCCEEDING ENTRY |
|---|
| Title |
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| -- |
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| Record control number |
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| Main entry heading |
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| International Standard Serial Number |
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| 787 ## - OTHER RELATIONSHIP ENTRY |
|---|
| International Standard Serial Number |
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| -- |
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| Place, publisher, and date of publication |
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| Related parts |
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| Relationship information |
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| Title |
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| Record control number |
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| 800 ## - SERIES ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
|
| -- |
|
| Dates associated with a name |
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| Language of a work |
|
| Date of a work |
|
| Title of a work |
0 |
| Fuller form of name |
|
| Volume/sequential designation |
|
| 810 ## - SERIES ADDED ENTRY--CORPORATE NAME |
|---|
| Corporate name or jurisdiction name as entry element |
|
| -- |
|
| Subordinate unit |
|
| Date of a work |
|
| Title of a work |
|
| -- |
|
| Volume/sequential designation |
|
| 830 ## - SERIES ADDED ENTRY--UNIFORM TITLE |
|---|
| International Standard Serial Number |
|
| -- |
|
| Uniform title |
|
| Name of part/section of a work |
|
| Number of part/section of a work |
|
| Language of a work |
0 |
| Volume/sequential designation |
|
| 942 ## - ADDED ENTRY ELEMENTS |
|---|
| Institution code [OBSOLETE] |
|
| -- |
lcc |
| Item type |
Book |