A Primer on QSAR/QSPR Modeling: Fundamental Concepts
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| Main Authors: | , , |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Cham [u.a.]
Springer International Publishing
2015
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| Series: | SpringerBriefs in Molecular Science
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| Subjects: | |
| Online Access: | FAW01 UBT01 Volltext Inhaltsverzeichnis Abstract |
| Physical Description: | 1 Online-Ressource (X, 121 p. 47 illus) |
| ISBN: | 9783319172811 |
| ISSN: | 2191-5407 |
| DOI: | 10.1007/978-3-319-17281-1 |
Staff View
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Record in the Search Index
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| adam_text | A PRIMER ON QSAR/QSPR MODELING
/ ROY, KUNAL
: 2015
TABLE OF CONTENTS / INHALTSVERZEICHNIS
QSAR/QSPR MODELING: INTRODUCTION
STATISTICAL METHODS IN QSAR/QSPR
QSAR/QSPR METHODS
NEWER DIRECTIONS IN QSAR/QSPR.
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
A PRIMER ON QSAR/QSPR MODELING
/ ROY, KUNAL
: 2015
ABSTRACT / INHALTSTEXT
THIS BRIEF GOES BACK TO BASICS AND DESCRIBES THE QUANTITATIVE
STRUCTURE-ACTIVITY/PROPERTY RELATIONSHIPS (QSARS/QSPRS) THAT REPRESENT
PREDICTIVE MODELS DERIVED FROM THE APPLICATION OF STATISTICAL TOOLS
CORRELATING BIOLOGICAL ACTIVITY (INCLUDING THERAPEUTIC AND TOXIC) AND
PROPERTIES OF CHEMICALS (DRUGS/TOXICANTS/ENVIRONMENTAL POLLUTANTS) WITH
DESCRIPTORS REPRESENTATIVE OF MOLECULAR STRUCTURE AND/OR PROPERTIES. IT
EXPLAINS HOW THE SUB-DISCIPLINE OF CHEMINFORMATICS IS USED FOR MANY
APPLICATIONS SUCH AS RISK ASSESSMENT, TOXICITY PREDICTION, PROPERTY
PREDICTION AND REGULATORY DECISIONS APART FROM DRUG DISCOVERY AND LEAD
OPTIMIZATION. THE AUTHORS ALSO PRESENT, IN BASIC TERMS, HOW QSARS AND
RELATED CHEMOMETRIC TOOLS ARE EXTENSIVELY INVOLVED IN MEDICINAL
CHEMISTRY, ENVIRONMENTAL CHEMISTRY AND AGRICULTURAL CHEMISTRY FOR
RANKING OF POTENTIAL COMPOUNDS AND PRIORITIZING EXPERIMENTS. AT PRESENT,
THERE IS NO STANDARD OR INTRODUCTORY PUBLICATION AVAILABLE THAT
INTRODUCES THIS IMPORTANT TOPIC TO STUDENTS OF CHEMISTRY AND PHARMACY.
WITH THIS IN MIND, THE AUTHORS HAVE CAREFULLY COMPILED THIS BRIEF IN
ORDER TO PROVIDE A THOROUGH AND PAINLESS INTRODUCTION TO THE FUNDAMENTAL
CONCEPTS OF QSAR/QSPR MODELLING. THE BRIEF IS AIMED AT NOVICE READERS
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
|
| any_adam_object | 1 |
| author | Roy, Kunal Kar, Supratik Das, Rudra Narayan |
| author_facet | Roy, Kunal Kar, Supratik Das, Rudra Narayan |
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| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.2 |
| dewey-search | 541.2 |
| dewey-sort | 3541.2 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| doi_str_mv | 10.1007/978-3-319-17281-1 |
| format | Electronic eBook |
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| id | DE-604.BV042544544 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:24:34Z |
| institution | BVB |
| isbn | 9783319172811 |
| issn | 2191-5407 |
| language | English |
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| physical | 1 Online-Ressource (X, 121 p. 47 illus) |
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| spelling | Roy, Kunal Verfasser aut A Primer on QSAR/QSPR Modeling Fundamental Concepts Kunal Roy, Supratik Kar, Rudra Narayan Das A Primer on QSAR, QSPR Modeling Cham [u.a.] Springer International Publishing 2015 1 Online-Ressource (X, 121 p. 47 illus) txt rdacontent c rdamedia cr rdacarrier SpringerBriefs in Molecular Science 2191-5407 Chemistry Chemistry / Mathematics Biology / Data processing Theoretical and Computational Chemistry Math. Applications in Chemistry Computer Appl. in Life Sciences Chemie Datenverarbeitung Mathematik Kar, Supratik Verfasser aut Das, Rudra Narayan Verfasser aut Erscheint auch als Druckausgabe 978-3-319-17280-4 https://doi.org/10.1007/978-3-319-17281-1 Verlag Volltext Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027978550&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027978550&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Abstract |
| spellingShingle | Roy, Kunal Kar, Supratik Das, Rudra Narayan A Primer on QSAR/QSPR Modeling Fundamental Concepts Chemistry Chemistry / Mathematics Biology / Data processing Theoretical and Computational Chemistry Math. Applications in Chemistry Computer Appl. in Life Sciences Chemie Datenverarbeitung Mathematik |
| title | A Primer on QSAR/QSPR Modeling Fundamental Concepts |
| title_alt | A Primer on QSAR, QSPR Modeling |
| title_auth | A Primer on QSAR/QSPR Modeling Fundamental Concepts |
| title_exact_search | A Primer on QSAR/QSPR Modeling Fundamental Concepts |
| title_full | A Primer on QSAR/QSPR Modeling Fundamental Concepts Kunal Roy, Supratik Kar, Rudra Narayan Das |
| title_fullStr | A Primer on QSAR/QSPR Modeling Fundamental Concepts Kunal Roy, Supratik Kar, Rudra Narayan Das |
| title_full_unstemmed | A Primer on QSAR/QSPR Modeling Fundamental Concepts Kunal Roy, Supratik Kar, Rudra Narayan Das |
| title_short | A Primer on QSAR/QSPR Modeling |
| title_sort | a primer on qsar qspr modeling fundamental concepts |
| title_sub | Fundamental Concepts |
| topic | Chemistry Chemistry / Mathematics Biology / Data processing Theoretical and Computational Chemistry Math. Applications in Chemistry Computer Appl. in Life Sciences Chemie Datenverarbeitung Mathematik |
| topic_facet | Chemistry Chemistry / Mathematics Biology / Data processing Theoretical and Computational Chemistry Math. Applications in Chemistry Computer Appl. in Life Sciences Chemie Datenverarbeitung Mathematik |
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