Methodologies and applications for chemoinformatics and chemical engineering:
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
Hershey, PA
Engineering Science Reference
2013
|
| Series: | Premier reference source
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis Klappentext |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | XX, 480 S. Ill. |
| ISBN: | 9781466640108 9781466640122 |
Staff View
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| 245 | 1 | 0 | |a Methodologies and applications for chemoinformatics and chemical engineering |c A. K. Haghi, [ed.] |
| 264 | 1 | |a Hershey, PA |b Engineering Science Reference |c 2013 | |
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Table of
Contents
Preface
.XIX
Chapter
1
Application
of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol
Pollutants
.·
Jorge
Gálvez,
University of Valencia, Spain
Miriam
P
arreno,
University of Valencia, Spain
JordiPla, University of Valencia, Spain
Jaime Sanchez, University of Valencia, Spain
María Gálvez-Üompart,
University of Valencia, Spain
Sergio
Navarro,
University of Valencia, Spain
Ramón García-Domenech,
University of Valencia, Spain
Chapter
2
Graph-Theoretical Indices based on Simple, General and Complete Graphs
.11
Lionello Pogliani,
Università della
Calabria, Italy
Chapter
3
Modeling of Fluid Interaction Produced by Water Hammer
.27
Kaveh Hariri Asli, Azerbaijan National Academy of Science, Azerbaijan
FaigBakhman Ogli Naghiyev, Azerbaijan State Oil Academy, Azerbaijan
Solían
AH OgHAHyev, Azerbaijan National Academy of Science, Azerbaijan
Hoosein Hariri Asli, Applied Science and Technology University, Iran
Chapter
4
Logistic vs. W-Lambert Information in Quantum Modeling of Enzyme Kinetics
.40
Mihai V.
Putz,
West University of
Timişoara,
Romania
Ana-Maria Putz,
Timişoara
Institute of Chemistry of Romanian Academy, Romania
Chapter
5
Toxicity
of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-
Toxicity-Relationship (QSTR)
.60
Ashutosh Gupta,
Udai
Pratap Autonomous College, India
Ar indam Chakraborty,
Indian Institute of Technology Kharagpur, India
Santanab
Giri,
Indian Institute of Technology Kharagpur, India
Venkatesan Subramanian, Central Leather Research Institute, India
Pratim
Kumar Chattaraj, Indian Institute of Technology Kharagpur, India
Chapter
6
A Hybrid Approach Based on Self-Organizing Neural Networks and the K-Nearest Neighbors
Method to Study Molecular Similarity
.74
Abdelmalek
Amine,
Tahar Moulay University, Algeria
Zakaria Elberrichi, Dj
Ulali
Liabes University, Algeria
Michel
Simonét,
Joseph Fourier University, France
AH Rahmouni, Tahar Moulay University, Algeria
Chapter
7
Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide
.96
M. I. Pro/eta,
Universidad
Nacional
del
Nordeste,
Argentina
J. R.
Romero, Universidad Nacional del Nordeste, Argentina
LA. C.
Leiva,
Universidad Nacional del Nordeste, Argentina
N. L
Jorge, Universidad Nacional del Nordeste, Argentina
M. E.
Gomez
Vara, Universidad Nacional del Nordeste, Argentina
E. A. Castro, INIFTA, Argentina
Chapter
8
Characterization
of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical
Analysis
.102
D. J.
Marino,
Universidad Nacional de La
Plata,
Argentina
E. A. Castro,
Universidad Nacional
de La Piata, Argentina
L. Mossolo,
Universidad Nacional
de La Piata, Argentina
A.
Mueller, Centre of Environmental Research Leipzig-Halle GmbH, Germany
O.
Herbarth,
Centre of Environmental Research Leipzig-Halle GmbH, Germany
A. E.
Ronco, Universidad Nacional
de La
Plata, Argentina
Chapter
9
Using Chemical Structural Indicators for Periodic Classification of Local Anaesthetics
.117
Francisco
Torrens, Universität de Valencia,
Spain
Gloria
Castellano,
Universidad Católica de Valencia
San
Vicente Mártir,
Spain
Chapter
10
Exploring the Thermodynamic Aspects of Structure Formation During Wet-Spinning of
Polyacrylonitrile Fibres
.138
Shahram Arbab, University ofGuilan, Iran
A. Zeinolebadi, University of Hamburg, Germany
Parviz Noorpanah, Amirkabir University of Technology, Iran
Chapter
11
Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the
Quantum Mechanical Reactivity Descriptors
.155
Tanmoy Chakraborty, University ofKalyani, India
Dulal
С
Ghosh, University ofKalyani, India
Chapter
12
Hydrogen-Bonded Interactions in the Systems Z-Cysteine
-
H2Se03 and
¿-Cysteine
-Hj
ADFTStudy
.169
Alexei
N.
Pankratov, Institute of Chemistry,
N.
G. Chernyshevskii Saratov State University,
Saratov, Russia
NikolayA. Bychkov, Institute of Chemistry,
N.
G. Chernyshevskii Saratov State University,
Saratov, Russia
OlgaM. Tsivileva, Laboratory of Microbiology, Institute of Biochemistry and Physiology of
Plants and Microorganisms, Russian Academy of Sciences, Saratov, Russia
Chapter
13
Theoretical Studies on the Structure and
Spectroscopie
Properties of
2,4-
D
(2,4-Diclorofenoxiacetic Acid)
.180
María
G.
Andino,
Universidad
Nacional
del
Nordeste,
Argentina
Maneia
I.
Profeta,
Universidad Nacional
del
Nordeste,
Argenti?ia
Jorge
M.
Romero,
Universidad
Nacional
del
Nordeste,
Argentina
Nelly
L·
Jorge,
Universidad
Nacional
del
Nordeste,
Argentina
Eduardo A. Castro, Research
Institute of Theoretical and Applied Physical-Chemistry
(INIFTA), Argentina
Chapter
14
Experimental-Theoretical Method for Defining Physical-Mechanical Properties of Polymer Materials
with Regard to Change of Their Physical-Chemical Properties
.191
Gabil G. Aliyev, Azerbaijan National Academy of Sciences, Azerbaijan
Chapter
15
Two-D Analysis of the Thermo-Mechanical Properties of ZrO2-Based Composites
.204
Sedigheh Salehi,
Katholieke Universiteit Leuven,
Belgium
Vasyl Ryukhtin, Helmholtz-Zentrum Berlin for Materials and Energy, Germany
Petr
Lukas,
Nuclear Physics Institute, Czech Republic
Omer Van
der Biest, Katholieke Universiteit Leuven,
Belgium
Jef
Vleugels, Katholieke Universiteit Leuven,
Belgium
Chapter
16
Wavy Motion of Viscous Bubbly Liquid in Tubes of Orthotropic Material
.218
Rafael Yusif Amenzadeh, Baku State University, Azerbaijan
Akperli Reyhan Sayyad, Baku State University, Azerbaijan
Faig Bakhman Ogli Naghiyev, Baku State University, Azerbaijan
Chapter
17
Bündlet
Model for Single-Wall Carbon Nanotubes, Nanocones andNanohorns
.228
Francisco
Torrens, Universität de Valencia,
Spain
Gloria
Castellano, Universidad Católica
de Valencia,
Spain
Chapter
18
An Efficient Algorithm for Automating Classification of Chemical Reactions into Classes in
Ugi's Reaction Scheme
.285
SanjayRam, Bengal Engineering and Science University, Shibpur, India
SomnathPal, Bengal Engineering and Science University, Shibpur, India
Chapter
19
Modelling Liquid Flow Through Carbon Nanotubes
.297
FaigBakhman Ogli Naghiyev, Ministry of Communications and Information Technologies
of Azerbaijan Republic, Azerbaijan
Chapter
20
Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based
Virtual Screening
.310
John D. Holliday, University of Sheffield, UK
Peter Willett, University of Sheffield, UK
HuaXiang, University of Sheffield, UK
Chapter
21
Retrained Classification of Tyrosinase Inhibitors and "In Silico" Potency Estimation by Using
Atom-Type Linear Indices: A Powerful Tool for Speed up the Discovery of Leads
.322
Gerardo
M.
Casañola-Martín,
Universität de Valencia,
Spain,
& Central
University of
Las
Villas, Cuba
Mahmud TareqHassan Khan, Gen0k-Center
forBiosafety, Norway
Huong
Le-Thi-Thu, Central
University of
Las
Villas, Cuba
Yovani Marrero-Ponce, Central
University of
Las
Villas, Cuba,
& Universität de Valencia,
Spain
Ramón García-Domenech,
Universität de Valencia,
Spain
Francisco Torrens, Universität de Valencia,
Spain
Antonio Rescigno,
Università di Cagliari,
Italy
Concepción Abad,
Universität de Valencia,
Spain
Compilation of References
.428
About the Editor
.476
Index
.477
Methodologies and
Applications for
Chemoinformatics and
Chemical Engineering
In recent years, significant advances have been made in the development of
chemistry and computer science integration into the fields of
biomedicai
and chem¬
ical engineering, applying quantum principles to practical, macro-world science.
ana
Аррислюлі
ror
ипетонігогпшисв
brings together innovative research, new concepts, and novel developments
in the application of informatics tools for applied chemistry and computer sci¬
ence. This book is essential amongst chemists, engineers, and researchers in
providing mutual communication between academics and industry profession¬
als around the world.
Topics Covered:
Biotechnology
Chemical Engineering
Industrial Chemistry
Particle Technology
Process Safety
Reaction Engineering |
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| spelling | Methodologies and applications for chemoinformatics and chemical engineering A. K. Haghi, [ed.] Hershey, PA Engineering Science Reference 2013 XX, 480 S. Ill. txt rdacontent n rdamedia nc rdacarrier Premier reference source Includes bibliographical references and index Cheminformatics Chemical engineering Datenverarbeitung (DE-588)4011152-0 gnd rswk-swf Chemie (DE-588)4009816-3 gnd rswk-swf Computational chemistry (DE-588)4290091-8 gnd rswk-swf Technische Chemie (DE-588)4078178-1 gnd rswk-swf 1\p (DE-588)4143413-4 Aufsatzsammlung gnd-content Computational chemistry (DE-588)4290091-8 s DE-604 Chemie (DE-588)4009816-3 s Datenverarbeitung (DE-588)4011152-0 s Technische Chemie (DE-588)4078178-1 s Haghi, A. K. 1958- Sonstige (DE-588)1045113662 oth Erscheint auch als Online-Ausgabe 978-1-4666-4011-5 Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027430639&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027430639&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
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| subject_GND | (DE-588)4011152-0 (DE-588)4009816-3 (DE-588)4290091-8 (DE-588)4078178-1 (DE-588)4143413-4 |
| title | Methodologies and applications for chemoinformatics and chemical engineering |
| title_auth | Methodologies and applications for chemoinformatics and chemical engineering |
| title_exact_search | Methodologies and applications for chemoinformatics and chemical engineering |
| title_full | Methodologies and applications for chemoinformatics and chemical engineering A. K. Haghi, [ed.] |
| title_fullStr | Methodologies and applications for chemoinformatics and chemical engineering A. K. Haghi, [ed.] |
| title_full_unstemmed | Methodologies and applications for chemoinformatics and chemical engineering A. K. Haghi, [ed.] |
| title_short | Methodologies and applications for chemoinformatics and chemical engineering |
| title_sort | methodologies and applications for chemoinformatics and chemical engineering |
| topic | Cheminformatics Chemical engineering Datenverarbeitung (DE-588)4011152-0 gnd Chemie (DE-588)4009816-3 gnd Computational chemistry (DE-588)4290091-8 gnd Technische Chemie (DE-588)4078178-1 gnd |
| topic_facet | Cheminformatics Chemical engineering Datenverarbeitung Chemie Computational chemistry Technische Chemie Aufsatzsammlung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027430639&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027430639&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT haghiak methodologiesandapplicationsforchemoinformaticsandchemicalengineering |