عنوان
پدید آورنده
موضوع
رده
RM301.42 .D36 2018eb
RM301
.
42
.
D36
2018eb
کتابخانه
محل استقرار
INTERNATIONAL STANDARD BOOK NUMBER
(Number (ISBN
0815362099
(Number (ISBN
1351113054
(Number (ISBN
1351113062
(Number (ISBN
1351113070
(Number (ISBN
9780815362098
(Number (ISBN
9781351113052
(Number (ISBN
9781351113069
(Number (ISBN
9781351113076
TITLE AND STATEMENT OF RESPONSIBILITY
Title Proper
Quantitative Structure Activity Relationship :
General Material Designation
[Book]
Other Title Information
a Practical Approach /
First Statement of Responsibility
Siavoush Dastmalchi, Maryam Hamzeh-Mivehroud, Babak Sokouti.
EDITION STATEMENT
Edition Statement
First edition.
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Boca Raton, FL :
Name of Publisher, Distributor, etc.
CRC Press,
Date of Publication, Distribution, etc.
2018.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
1 online resource :
Other Physical Details
text file, PDF
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
Cover; Half Title; Title Page; Copyright Page; Table of Contents; Foreword; Preface; Authors; Chapter 1 QSAR at a Glance; Chapter 2 Database and Dataset; 2.1 Introduction; 2.2 Data Sources; 2.2.1 Database Servers; 2.2.2 Data Handling; Chapter 3 Molecular Descriptors; 3.1 Introduction; 3.2 Molecular Descriptors; 3.2.1 Whole Molecule Descriptors; 3.2.2 Fragment-Based Molecular Descriptors; 3.2.3 Dimensionality in Molecular Descriptors; 3.3 Software for Generation of Molecular Descriptors; 3.4 Limitations and Challenges; Chapter 4 Descriptor Selection; 4.1 Introduction
Text of Note
4.2 Preprocessing of Molecular Descriptors4.2.1 Scaling; 4.2.2 Collinearity; 4.2.3 Train and Test Sets Division; 4.3 Descriptor Selection; 4.3.1 Methods and Algorithms; 4.3.1.1 Filter-Based Methods; 4.3.1.2 Wrapper-Based Methods; 4.3.1.3 Hybrid Methods; 4.4 Software and Tools; 4.5 Limitations and Challenges; Chapter 5 Model Building; 5.1 Introduction; 5.2 Linear Models; 5.2.1 Multiple Linear Regression; 5.2.2 Partial Least Squares; 5.2.3 Principal Component Analysis; 5.2.4 Free-Wilson Analysis; 5.2.5 Linear Discriminant Analysis; 5.3 Nonlinear Models; 5.3.1 Artificial Neural Network
Text of Note
5.3.2 k-Nearest Neighbor5.3.3 Decision Tree; 5.3.4 Support Vector Machine; 5.4 Outliers; 5.5 Software and Tools; 5.6 Limitations and Challenges; Chapter 6 Validation of QSAR Models; 6.1 Introduction; 6.2 Validation Methods; 6.2.1 Internal Validation; 6.2.1.1 Internal Cross-Validation; 6.2.1.2 The rm2 Parameter; 6.2.1.3 Y-Scrambling; 6.2.1.4 Bootstrapping; 6.2.2 External Validation; 6.2.3 Applicability Domain; 6.3 Software and Tools; 6.4 Limitations and Challenges; Chapter 7 Practical Example; Chapter 8 Concluding Remarks; References; Index
0
8
8
SUMMARY OR ABSTRACT
Text of Note
"Since the introduction of quantitative structureactivity relationship (QSAR) studies in early the 60s, this field has played a significant role in the discovery and design of new chemical entities in drug development. Quantitative StructureActivity Relationship: A practical approach provides a detailed overview of computational approaches in QSAR studies. Applications of different algorithms in various steps of a QSAR analysis are covered and examples are provided. Each chapter introduces the tools and software involved. Moreover, challenges and issues which may be faced in any step of the analysis are thoroughly discussed based on the OECD guidelines, enabling the reader to familiarise themselves with potential end results."--Provided by publisher.
ACQUISITION INFORMATION NOTE
Source for Acquisition/Subscription Address
Ingram Content Group
Stock Number
9781351113052
OTHER EDITION IN ANOTHER MEDIUM
International Standard Book Number
9780815362098
TOPICAL NAME USED AS SUBJECT
Biochemistry.
Pharmacy.
Quantitative Structure-Activity Relationship.
Biochemistry.
Pharmacy.
SCIENCE / Biotechnology.
SCIENCE / Chemistry / General.
(SUBJECT CATEGORY (Provisional
MED071000
SCI010000
SCI013000
DEWEY DECIMAL CLASSIFICATION
Number
SCBS05
Number
SCBS05
Number
SCBS6235
Number
WB035
Number
WB043
Number
WB057
Number
WB061
Number
WB063
Number
WB075
LIBRARY OF CONGRESS CLASSIFICATION
Class number
RM301
.
42
Book number
.
D36
2018eb
OTHER CLASS NUMBERS
Class number
QV
744
PERSONAL NAME - PRIMARY RESPONSIBILITY
Dastmalchi, Siavoush
PERSONAL NAME - ALTERNATIVE RESPONSIBILITY
Hamzeh-Mivehroud, Maryam
Sokouti, Babak
ORIGINATING SOURCE
Date of Transaction
20200822134649.0
Cataloguing Rules (Descriptive Conventions))
rda
ELECTRONIC LOCATION AND ACCESS
Electronic name
مطالعه متن کتاب [Book]
Y
