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Computer Representation Of The Stereochemistry Of Organic Molecules

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Computer Representation of the Stereochemistry of Organic Molecules

Computer Representation of the Stereochemistry of Organic Molecules Book
Author : DAVIS
Publisher : Birkhäuser
Release : 2013-11-11
ISBN : 3034857888
Language : En, Es, Fr & De

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Book Description :

The role of the computer in the practice of organic chemistry has been firmly established over the past decade. Its uses as a large scale information storage and retrieval device in chemistry have been too numerous to mention. More recently, the applicability of computers to the problem of discovering valid and reasonable synthesis routes for organic molecules has been demonstrated. This has been both as an adjunct to the 1 chemist in the on-line interactive mode ,2,3 and also as a wholly computer-directed system seeking to simulate the intelligent prob- 4 lem-solving activity of the human organic synthetic chemist. ,5 In all of these computer applications to organic chemistry, it has been necessary to devise some computer-compatible repres- tation of an organic molecule that is both canonical and c- venient for table look-ups. This is in order that entities that have been constructed at different times under different circumstances can be identified and classified, with identical molecules being recognized as such even if their connection matrices list the elements of the molecule in different orders. E. J. Corey and W. T. Wipke, Science, 166, 178 (1969). 2 E. J. Corey, W. T. Wipke, R. D. Cramer III and W. J. Howe, J. Americ. Chern. Soc. , 94, 421 (1972) and 431 (1972). 3 E. J. Corey, R. D. Cramer III and W. J. Howe, ~. Americ. Chern. Soc. , 94, 440 (1972). 4 H. L. Gelernter, N. S. Sridharan and A. J.

Computer Representation of the Stereochemistry of Organic Molecules

Computer Representation of the Stereochemistry of Organic Molecules Book
Author : DAVIS
Publisher : Birkhäuser
Release : 1976-01-01
ISBN : 9783764308476
Language : En, Es, Fr & De

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Book Description :

The role of the computer in the practice of organic chemistry has been firmly established over the past decade. Its uses as a large scale information storage and retrieval device in chemistry have been too numerous to mention. More recently, the applicability of computers to the problem of discovering valid and reasonable synthesis routes for organic molecules has been demonstrated. This has been both as an adjunct to the 1 chemist in the on-line interactive mode ,2,3 and also as a wholly computer-directed system seeking to simulate the intelligent prob- 4 lem-solving activity of the human organic synthetic chemist. ,5 In all of these computer applications to organic chemistry, it has been necessary to devise some computer-compatible repres- tation of an organic molecule that is both canonical and c- venient for table look-ups. This is in order that entities that have been constructed at different times under different circumstances can be identified and classified, with identical molecules being recognized as such even if their connection matrices list the elements of the molecule in different orders. E. J. Corey and W. T. Wipke, Science, 166, 178 (1969). 2 E. J. Corey, W. T. Wipke, R. D. Cramer III and W. J. Howe, J. Americ. Chern. Soc. , 94, 421 (1972) and 431 (1972). 3 E. J. Corey, R. D. Cramer III and W. J. Howe, ~. Americ. Chern. Soc. , 94, 440 (1972). 4 H. L. Gelernter, N. S. Sridharan and A. J.

Computer Representation of the Stereochemical Features of Organic Molecules

Computer Representation of the Stereochemical Features of Organic Molecules Book
Author : Henry W. Davis
Publisher : Unknown
Release : 1974
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Computer Representation of the Stereochemical Features of Organic Molecules book written by Henry W. Davis, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Computer representation of the stereochemistry of organic molecules

Computer representation of the stereochemistry of organic molecules Book
Author : Henry W. Davis
Publisher : Unknown
Release : 1976
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Computer representation of the stereochemistry of organic molecules book written by Henry W. Davis, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Computer recognition of human faces

Computer recognition of human faces Book
Author : KANADE
Publisher : Birkhäuser
Release : 2013-12-01
ISBN : 3034857373
Language : En, Es, Fr & De

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Book Description :

Picture processing by computer has found its application in various fields. Character recognition has shown the most practical success. Furthermore, the techniques span much more sophisticated applications such as interpretation of biomedical images and X-ray films, measurement of images in nuclear physics, processing of a large volume of pictorial data sent from the satellites, etc. The particular problem attacked in this thesis is computer analysis and identification of human faces. Pictures of human faces are successfully analyzed by a computer program which extracts face feature points, such as nose, mouth, eyes, and so on. The program was tested with more than 800 photographs The research has been done with main emphasis on the method of how to incorporate the picture structures into the picture anlysis program. The success of the program is due to the employment of a flexible picture analysis scheme with feedbacks, which will be described in the next chapter. An experiment on face identification of 20 people was also conducted. I-1. Picture Analysis and Recognition- New Aspects When shown the pictures of the human face of Fig. 1-1, we can immediately tell the positions of the nose, mouth and eyes; and more- over, we can say that both pictures surely portray the same person. Picture analysis and recognition by computer concerns itself with this type of two-dimensional image processing. In this thesis, I selected human-face pictures as objects of processing.

Motivation and Intentionality in a Computer Simulation Model of Paranoia

Motivation and Intentionality in a Computer Simulation Model of Paranoia Book
Author : FAUGHT
Publisher : Birkhäuser
Release : 2013-12-01
ISBN : 3034865473
Language : En, Es, Fr & De

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Book Description :

Download Motivation and Intentionality in a Computer Simulation Model of Paranoia book written by FAUGHT, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Organic Chemistry

Organic Chemistry Book
Author : T. Mukaiyama
Publisher : Elsevier
Release : 2016-10-27
ISBN : 148315095X
Language : En, Es, Fr & De

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Book Description :

26th International Congress of Pure and Applied Chemistry, Volume 4: Organic Chemistry is a collection of session lectures presented at the 26th International Congress of Pure and Applied Chemistry, held in Tokyo, Japan on September 4-10, 1977. This volume is composed of six chapters and starts with a discussion of the problems related to the understanding orders of nucleophilic reactivity. The succeeding chapters deal with the synthetic approaches to the pentagonal dodecahedrane and several designs and concepts in natural product synthesis. These topics are followed by the examination of the full structures of tissue culture adducts formed from polyaromatic hydrocarbons and nucleic acids. The final chapters describe the biosynthesis of aspulvinone metabolites from Aspergillus terreus and a mathematical model for the deductive solution of chemical problems using computer programs. This book is intended for organic chemists, researchers, and students.

Stereochemistry of Organic Compounds

Stereochemistry of Organic Compounds Book
Author : Ernest L. Eliel,Samuel H. Wilen
Publisher : John Wiley & Sons
Release : 1994-09-30
ISBN : 0471016705
Language : En, Es, Fr & De

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Book Description :

Stereochemistry of Organic Compounds The first fully referenced, comprehensive book on this subject in more than thirty years, Stereochemistry of Organic Compounds contains up-to-date coverage and insightful exposition of all important new concepts, developments, and tools in the rapidly advancing field of stereochemistry, including: * Asymmetric and diastereoselective synthesis * Conformational analysis * Properties of enantiomers and racemates * Separation and analysis of enantiomers and diastereoisomers * Developments in spectroscopy (including NMR), chromatography, and molecular mechanics as applied to stereochemistry * Prostereoisomerism * Conceptual foundations of stereochemistry, including terminology and symmetry concepts * Chiroptical properties Written by the leading authorities in the field, the text includes more than 4,000 references, 1,000 illustrations, and a glossary of stereochemical terms.

Automatic Detection of Rib Contours in Chest Radiographs

Automatic Detection of Rib Contours in Chest Radiographs Book
Author : WECHSLER
Publisher : Birkhäuser
Release : 2013-11-11
ISBN : 3034857675
Language : En, Es, Fr & De

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Book Description :

1.1 Statement of the Problem This work describes a new and effective computer algorithm for detecting the contours of ribs in ehest radiographs. The problem, which is common to both the research areas of Machine Vision and Biomedical Computing, is to extract graphical information, such as that represented in Figure 1-lb, from a picture such as Figure 1-la. Figure 1-la shows a typical posterior-anterior (PA) ehest radiograph while Figure 1-lb shows a drawing of the ventral aspect of the thorax. lt is hoped that this researchwill contribute significantly toward developing an automated system for interpreting ehest radio graphs. 1.2 Why Have We Carried Out This Research? Since about one-third of the 650,000,000 medical radiographs (X-ray photographs) taken annually in the United States areehest radiographs, there is a growing awareness of the need for a computer aided system to help diagnose these radiographs. The detection of rib contours is, of course, a necessary element in such a system. In addition to being able to accommodate the need for a mass screening program, an automated systemalso has the ability to detect anomalies at earlier stages. Ziskin et al (1971) state that reliable 2 {a) Original Chest Radiograph Figure 1-1. A Chest Radiograph 3 VENTRAL CONTOUR CARTILAGE {b) THE THORAX; VENTRAL ASPECT OF A CHEST RADIOGRAPH Figura 1-1 A CHEST RADIOGRAPH studies indicate that even under routine conditions radiologists fail to detect approximately 30% of abnormalities in ehest X-ray films.

Innovation Economic Change and Technology Policies

Innovation  Economic Change and Technology Policies Book
Author : STROETMANN
Publisher : Birkhäuser
Release : 2013-11-11
ISBN : 3034858671
Language : En, Es, Fr & De

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Book Description :

Technological progress is a major factor chaping economic growth. Today's standard of living is a direct result of scientific advances and technical change in the past. Since uncontrolled technological progress has become amenace to our well being and may actually threat our survival, it is necessary to learn to manage technological progress and direct innovative activities in such a manner that both private wants and social needs playa dominant role in determining the rate and direction of technical change. This requires a better understanding of the processes of technical change, of their impact on and interrelationships with economic and social developments and of the means and measures by which both individuals and governments can influence and direct technological progress. To this end, the Ninistry for Research and Technology of the Federal Republ ic of Germany and the National Science Foundation of the Uni ted States of America invited a group of scholars, corporate managers and civil servants to a one week seminar on "Technolo gical Innovation". The seminar took place in April, 1976, in Bonn, Federal Republ ic of Germany. Most papers presented at this meeting were specifically prepared for the seminar. With this volume, they are made available to a larger audience to further stimulate discussion not only among scholars interested in innovation research and technology policy questions but also among managers, union officials, civil ser vants and others directly or indirectly concerned with and affected by technical change.

Thought and Action in Foreign Policy

Thought and Action in Foreign Policy Book
Author : BOHAM,SHAPIRO
Publisher : Birkhäuser
Release : 2013-11-11
ISBN : 3034858728
Language : En, Es, Fr & De

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Book Description :

This volume is the product of the Conference on Cognitive Process Models of Foreign Policy Decision-Making which was held in London at the Richardson Institute for Conflict and Peace Research from March 17-24, 1973. We would like to thank Michael Nicholson, Director of the Richardson Institute, for acting as the host of the Conference. Support for the Conference and the preparation of the Conference papers for publication was provided by the Mathematical Social Sciences Board (MSSB). The MSSB is funded by aNational Science Foundation grant which is administered by the Center for Advanced Study in the Behavioral Sciences as the primary grantee. We are grateful to Hayward Alker, Jr. and William H. Riker of the MSSB for their help and encouragement. The graph shown on the cover is a cognitive map representation of the output from our computer simulation of foreign pOlicy decision-making. We would like to thank Robert Axelrod and Gary Raffel of the University of Michigan for generating the graph. PART I INTRODUCTION 1 CHAPTER 1 THOUGHT AND ACTION IN FOREIGN POLICY G. MATTHEW BONHAM The American University MICHAEL J. SHAPIRO University of Hawaii Introduction The papers assembled here constitute, and to some extent represent, widely disparate views of foreign policy thinking and decision-making. As is the case with almost any collective enterprise, it is possible to suggest some noteworthy resemblances among the contributions to this volume and to indicate grounds for distinguishing them from other "approaches.

Overlapping Tendencies in Operations Research Systems Theory and Cybernetics

Overlapping Tendencies in Operations Research Systems Theory and Cybernetics Book
Author : BILLETER
Publisher : Birkhäuser
Release : 2013-12-01
ISBN : 3034857934
Language : En, Es, Fr & De

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Book Description :

0.1 Gaps in Optimizing A comparison of the levels of development of Operations Research, Simulation Technique and Optimal Control Theory appears to gain increasing interest. Operations Research Sciences achieved very high mathematical standards and solved a great amount of important optimization problems, mainly at the level of management of private corporation and civil or military government tasks, however, these achievements are seldom incorporated in the mathematical curriculum of modern universities. Nevertheless, Operations Research seems to have failed in solving long range or strategical problems as they arise in any broader social, economical or political context (MUller-Merbach, 1976). Also for the weakest task, namely that of improving theory building, system simulation works as an optimization tool. Simulation models of large complex systems, like socio economical or political ones, failed until now to fit large empirical data bases. This was, in fact, one of the few serious objections against the form in which Forrester solved some problems modelling and simulating urban and world de velopments (Forrester, 1969; Forrester, 1971; IEEE-SCC October 197o; IEEE-SMC April 1972; Mass, 1974; Schroeder, 1975).

Combinatorial Connectivities in Social Systems

Combinatorial Connectivities in Social Systems Book
Author : ATKIN
Publisher : Birkhäuser
Release : 2013-11-27
ISBN : 3034857500
Language : En, Es, Fr & De

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Book Description :

This book is a presentation of my recent research work into the theory and applications of mathematical relations between finite sets. The consequent results and concepts are expressed in 'conjunction' with the idea of a union of simplicial complexes and the algorithms and overall methodology have become known as Q-Analysis. The mathematical ideas are essentially comhinatorial and are developed in Section-A of the book, whilst Section-R contains an application to a community study (that of the IJniversity of Rssex). All of the work has been published elsewhere, in the usual form of papers, and a comprehensive introduction to the whole approach will be found in my earlier book, Mathematical Structure in Human Affairs (Heinemann, London 1974). Much of the research work referred to in this present hook would not have been possible without the co-operation of my research team, of whom I would particularly like to thank J.II. Johnson, and its puhlication owes a lot to the secretarial help provided by ~Iary Low. R.H. Atkin IJniversity of Rssex U.K.

Drug Design Strategies

Drug Design Strategies Book
Author : David J. Livingstone,Andrew M. Davis
Publisher : Royal Society of Chemistry
Release : 2011-11
ISBN : 1849731667
Language : En, Es, Fr & De

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Book Description :

Shows how different parts of the drug discovery process have developed, with particular emphasis on quantitative aspects and possible future progress.

Current Catalog

Current Catalog Book
Author : National Library of Medicine (U.S.)
Publisher : Unknown
Release : 2022-08-18
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

First multi-year cumulation covers six years: 1965-70.

Seriation by Children

Seriation by Children Book
Author : YOUNG
Publisher : Birkhäuser
Release : 2013-11-11
ISBN : 3034855575
Language : En, Es, Fr & De

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Book Description :

A four year old child sits in front of a heap of wooden blocks and tries to stand them in a straight line in order of size. There is no doubt that he understands the task, for he can distinguish between correct and incorrect solutions. Yet no matter how he arranges and rearranges the blocks, they seem obstinately to refuse to be aligned into the desired staircase like pattern. A year later he does much better: he can seriate six blocks differing in length by about an inch. But faced with eight of the blocks, or with six blocks differing by only half an inch, he is again unable to complete the task. He manages to build an ordered line, but leaves out one or two of the blocks: or perhaps he organises the blocks into two distinct lines and then finds himself unable to combine them. A year later still and he is now an accomplished performer. Presented with any seriation task involving the wooden blocks he carries it out smoothly, confidently, and correctly [1].

Shape Grammars and their Uses

Shape Grammars and their Uses Book
Author : GIPS
Publisher : Birkhäuser
Release : 2013-12-01
ISBN : 3034857535
Language : En, Es, Fr & De

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Book Description :

Shape grammars provide a means for the recursive specification of shapes. The formalism for shape grammars is designed to be easily usable and understandable by people and at the same time to be adaptable for use in computer programs. Shape grammars are similar to phrase structura grammars, which were developed by Chomsky [ 1956, 1957]. Where a phrase structura grammar is defined over an alphabet of symbols and generates a language of sequences of symbols, a shape grammar is defined over an alphabet of shapes and generates a language of shapes. This dissertation explores the uses of shape grammars. The dissertation is divided into three sections and an appendix. In the first section: Shape grammars are defined. Some simple examples are given for instructiva purposes. Shape grammars are used to generate a new class of reversible figures. Shape grammars are given for some well-known mathematical curves (the Snowflake curve, a variation of Peano's curve, and Hilbert's curve). To show the general computational power of shape grammars, a procedura that given any Turing machine constructs a shape grammar that simulates the operation of that Turing machine is presented. Related work on various formalisms for pictura grammars is described. A symbolic characterization of shape grammars is given that is useful for implementing shape grammars in computer programs.

Biotechnology Resources

Biotechnology Resources Book
Author : Anonim
Publisher : Unknown
Release : 1981
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Directory of resources that serve the national biomedical community with new technologies and procedures. Arrangement according to category of resource service, i.e., Computer resources, Biomedical engineering resources, Biological structure and function, and Cellular and biochemical materials. Each entry gives title of resource, investigator, descriptions of equipment and personnel, objectives or applications, and current research. Geographical index.

Topics in Inorganic and Organometallic Stereochemistry

Topics in Inorganic and Organometallic Stereochemistry Book
Author : Gregory L. Geoffroy
Publisher : John Wiley & Sons
Release : 2009-09-17
ISBN : 0470147431
Language : En, Es, Fr & De

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Book Description :

This volume is devoted entirely to inorganic and organometallic stereochemical subjects. Discusses the systematic notations that have been developed to satisfy the needs for a rational and systematic stereochemical nomenclature. Reviews the stereochemical aspects of the changes of bonding at carbon centers induced by metals, either catalytically or stoiciometrically. Also reviews the major achievements in current stereochemical research—the synthesis of asymmetric compounds mediated by transition metals. Discusses the structures of transition metal carbonyl clusters, summarizing recent progress in this expanding area and providing a semiquantitative rationalization of the structures for these clusters.

Cheminformatics Developments

Cheminformatics Developments Book
Author : Jan H. Noordik
Publisher : IOS Press
Release : 2004
ISBN : 9781586034504
Language : En, Es, Fr & De

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Book Description :

The developments in information technology in the last decades of the 20th century have fundamentally changed the way in which scientific information is being communicated and used. A scientific discipline where the impact of these changes has been particularly significant is (bio)chemistry. Up to less than 25 years ago, molecular modeling was a hardly-existent computational chemistry niche, only practiced at those few institutes that could afford the very expensive specialised hardware. Also rapid access to not only the primary literature but, possibly even more importantly, to the factual primary data about millions of chemical compounds, to reactions, structures, and spectra, and to the genomic data of various organisms including humans, can only be provided by digital storage and retrieval techniques. This book seeks to document some key developments in computerized chemical information in the last two decades of the past century. To put the developments into a historic perspective, the three opening chapters present review articles on the founding, the history, and the operation of three different representative European computer chemistry institutes. These introductory chapters are personal accounts of history and development and clearly show the different approaches and aims in setting up these (academic) research and/or service facilities for computer-aided chemistry and cheminformatics. The following chapters form a bridge to recent cheminformatics research by covering selected topics in the fields of organic synthesis, drug design, crystallography, modeling and chemistry teaching.