ACS Symposium Series - Chemometrics and Chemoinformatics
Latest Publications

TOTAL DOCUMENTS

16

(FIVE YEARS 0)

H-INDEX

3

(FIVE YEARS 0)

Published By American Chemical Society

0841238588, 0841220123

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Analysis of Odor Structure Relationships Using Electronic Van Der Waals Surface Property Descriptors and Genetic Algorithms

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch009 ◽

2005 ◽

pp. 127-143

Author(s):

Barry K. Lavine ◽

Charles E. Davidson ◽

Curt Breneman ◽

William Katt

Keyword(s):

Genetic Algorithms ◽

Surface Property ◽

Van Der Waals ◽

Van Der Waals Surface

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Optimization of MDL Substructure Search Keys for the Prediction of Activity and Toxicity

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch010 ◽

2005 ◽

pp. 145-156 ◽

Author(s):

Douglas R. Henry ◽

Joseph L. Durant

Keyword(s):

Substructure Search

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Clustering Compound Data: Asymmetric Clustering of Chemical Datasets

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch011 ◽

2005 ◽

pp. 157-171 ◽

Author(s):

Norah E. MacCuish ◽

John D. MacCuish

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Chemometrics and Chemoinformatics, Copyright, Foreword

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.fw001 ◽

2005 ◽

pp. i-v

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Cheminformatics and Comparative Quantitative Structure-Activity Relationship

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch007 ◽

2005 ◽

pp. 97-110

Author(s):

Rajni Garg

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity

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Mathematics as a Basis for Chemistry

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch005 ◽

2005 ◽

pp. 55-76

Author(s):

G. W. A. Milne

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Preface

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.pr001 ◽

2005 ◽

pp. ix-xi

Author(s):

Barry K. Lavine

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Author Index

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ix001 ◽

2005 ◽

pp. 189-189

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Subject Index

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ix002 ◽

2005 ◽

pp. 191-204

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Chemoinformatics: Perspectives and Challenges

ACS Symposium Series - Chemometrics and Chemoinformatics ◽

10.1021/bk-2005-0894.ch004 ◽

2005 ◽

pp. 41-53

Author(s):

Ling Xue ◽

Florence L. Stahura ◽

Jürgen Bajorath

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