عنوان
پدید آورنده
موضوع
رده
QD39.3.E46
QD39
.
3
.
E46
کتابخانه
محل استقرار
INTERNATIONAL STANDARD BOOK NUMBER
(Number (ISBN
1788014715
(Number (ISBN
1788016181
(Number (ISBN
1788017420
(Number (ISBN
9781788014717
(Number (ISBN
9781788016186
(Number (ISBN
9781788017428
TITLE AND STATEMENT OF RESPONSIBILITY
Title Proper
Knowledge-based Expert Systems in Chemistry :
General Material Designation
[Book]
Other Title Information
Artificial Intelligence in Decision Making /
First Statement of Responsibility
Philip Judson.
EDITION STATEMENT
Edition Statement
2nd ed.
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Cambridge :
Name of Publisher, Distributor, etc.
Royal Society of Chemistry,
Date of Publication, Distribution, etc.
2019.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
1 online resource (288 pages)
SERIES
Series Title
Theoretical and Computational Chemistry Series
GENERAL NOTES
Text of Note
9.2 Stereochemistry
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
Intro; Title Page; Copyright Page; Preface; Contents; Chapter 1 Artificial Intelligence -- Making Use of Reasoning; References; Chapter 2 Synthesis Planning by Computer; References; Chapter 3 Other Programs to Support Chemical Synthesis Planning; 3.1 Programs That Are Similar to LHASA in Their Approach; 3.1.1 SECS; 3.1.2 PASCOP; 3.1.3 SYNLMA; 3.1.4 SYNCHEM and SYNCHEM2; 3.1.5 SYNGEN; 3.1.6 SYNSUP-MB and CAOSP; 3.1.7 RESYN; 3.1.8 SOS, MARSEIL, CONAN, HOLOWin and GRAAL; 3.1.9 AIPHOS, SOPHIA and KOSP; 3.1.10 Chiron; 3.1.11 PSYCHO; 3.1.12 COMPASS; 3.1.13 Wipke and Rogers SST; 3.1.14 SESAM
Text of Note
3.2 CICLOPS, EROS and WODCA -- A Different Approach3.3 PIRExS; 3.4 COSYMA; 3.5 Work by Wilcox and Levinson -- Automated Rule Discovery; 3.6 Predicting Reactions; 3.6.1 CAMEO; 3.6.2 Work by Chen and Baldi; 3.7 What Happened to Synthesis Planning by Computer?; References; Chapter 4 International Repercussions of the Harvard LHASA Project; References; Chapter 5 Current Interest in Synthesis Planning by Computer; 5.1 Retrosynthetic Analysis; 5.1.1 ICSynth; 5.1.2 ARChem, RouteDesigner and ChemPlanner; 5.1.3 Chematica; 5.1.4 Work by Segler, Waller and Preuss
Text of Note
5.1.5 Mining Electronic Laboratory Notebooks5.1.6 RASA; 5.1.7 Use of a Neural Network by Nam and Kim; 5.1.8 RetroPath; 5.2 Reducing Hazardous Impurities in Pharmaceuticals; 5.3 Knowledge-based Systems for Synthetic Accessibility; 5.3.1 SPROUT, HIPPO and CAESA; 5.3.2 AllChem; 5.3.3 RECAP; 5.3.4 DOGS; 5.3.5 Reactor; 5.3.6 Work by Schürer et al.; 5.3.7 SAVI; 5.3.8 ROBIA; 5.4 Other Systems for Synthetic Accessibility and Reaction Prediction; 5.4.1 SYLVIA and Work by Boda et al.; 5.4.2 SYNOPSIS; 5.4.3 IADE; 5.4.4 Using Neural Networks; 5.4.5 Work by Fukushini et al.; 5.4.6 Reaction Predictor
Text of Note
5.4.7 Work by Hristozov et al. 5.4.8 Work by Segler and Waller; References; Chapter 6 Structure Representation; 6.1 Wiswesser Line-formula Notation; 6.2 SMILES, SMARTS and SMIRKS; 6.3 SYBYL Line Notation (SLN); 6.4 CHMTRN and PATRAN; 6.5 ALCHEM; 6.6 Molfiles, SDfiles and RDfiles; 6.7 Mol2 Files; 6.8 The Standard Molecular Data Format and Molecular Information File; 6.9 Chemical Markup Language and CMLReact; 6.10 CDX and CDXML; 6.11 Molecular Query Language (MQL); 6.12 CSRML; 6.13 Using Pictures; References; Chapter 7 Structure, Substructure and Superstructure Searching
Text of Note
7.1 Exact Structure Searching7.1.1 Canonical SMILES Codes; 7.1.2 Morgan Names and SEMA Names; 7.1.3 MOLGEN-CID; 7.1.4 The Method Described by Henrickson and Toczko; 7.1.5 InChI Code; 7.1.6 CACTVS Hash Codes; 7.2 Atom by Atom Matching; 7.3 Substructure Searching; 7.4 Set Reduction; 7.5 Superstructure and Markush Structure Searching; 7.6 Reaction Searching; 7.7 Searching for Structures in Wikipedia; References; Chapter 8 Protons That Come and Go; 8.1 Dealing with Tautomerism; 8.2 Implicit and Explicit Hydrogen Atoms; References; Chapter 9 Aromaticity and Stereochemistry; 9.1 Aromaticity
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8
8
8
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SUMMARY OR ABSTRACT
Text of Note
This new edition has been thoroughly revised and updated to reflect the advances in using knowledge-based expert systems for chemistry.
ACQUISITION INFORMATION NOTE
Source for Acquisition/Subscription Address
Royal Society of Chemistry
Stock Number
5405:5254
OTHER EDITION IN ANOTHER MEDIUM
Title
Knowledge-based Expert Systems in Chemistry : Artificial Intelligence in Decision Making.
International Standard Book Number
9781788014717
TOPICAL NAME USED AS SUBJECT
Chemistry-- Data processing.
Expert systems (Computer science)
Chemistry-- Data processing.
Expert systems (Computer science)
SCIENCE-- Chemistry-- Clinical.
(SUBJECT CATEGORY (Provisional
COM-- 004000
PNRP
SCI-- 013050
SCI-- 013070
UMB
DEWEY DECIMAL CLASSIFICATION
Number
542/
.
85
Edition
23
LIBRARY OF CONGRESS CLASSIFICATION
Class number
QD39
.
3
.
E46
PERSONAL NAME - PRIMARY RESPONSIBILITY
Judson, Philip.
ORIGINATING SOURCE
Date of Transaction
20200823060026.0
Cataloguing Rules (Descriptive Conventions))
pn
ELECTRONIC LOCATION AND ACCESS
Electronic name
مطالعه متن کتاب [Book]
Y
