A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry

Yvonne C. Martin

doi:10.1021/jm00135a001

A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry

Journal of Medicinal Chemistry ◽

10.1021/jm00135a001 ◽

1981 ◽

Vol 24 (3) ◽

pp. 229-237 ◽

Cited By ~ 132

Author(s):

Yvonne C. Martin

Keyword(s):

Medicinal Chemistry ◽

Activity Analysis ◽

Quantitative Structure ◽

Structure Activity

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ChemInform Abstract: A PRACTITIONER′S PERSPECTIVE OF THE ROLE OF QUANTITATIVE STRUCTURE-ACTIVITY ANALYSIS IN MEDICINAL CHEMISTRY

Chemischer Informationsdienst ◽

10.1002/chin.198131335 ◽

1981 ◽

Vol 12 (31) ◽

Author(s):

Y. C. MARTIN

Keyword(s):

Medicinal Chemistry ◽

Activity Analysis ◽

Quantitative Structure ◽

Structure Activity

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Outliers in SAR and QSAR: 3. Importance of considering the role of water molecules in protein–ligand interactions and quantitative structure–activity relationship studies

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-021-00377-7 ◽

2021 ◽

Author(s):

Ki Hwan Kim

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Water Molecules ◽

Quantitative Structure ◽

Protein Ligand Interactions ◽

Structure Activity ◽

Ligand Interactions

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Quantitative Structure−Activity Analysis of the Algae Toxicity of Nitroaromatic Compounds

Chemical Research in Toxicology ◽

10.1021/tx9901635 ◽

2000 ◽

Vol 13 (6) ◽

pp. 441-450 ◽

Cited By ~ 57

Author(s):

Heike Schmitt ◽

Rolf Altenburger ◽

Bernd Jastorff ◽

Gerrit Schüürmann

Keyword(s):

Activity Analysis ◽

Nitroaromatic Compounds ◽

Quantitative Structure ◽

Structure Activity

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1980 Award in medicinal chemistry. Medicinal chemistry and dynamic structure-activity analysis in the discovery of drugs acting at histamine H2 receptors

Journal of Medicinal Chemistry ◽

10.1021/jm00140a001 ◽

1981 ◽

Vol 24 (8) ◽

pp. 913-920 ◽

Cited By ~ 67

Author(s):

Robin Ganellin

Keyword(s):

Medicinal Chemistry ◽

Dynamic Structure ◽

Activity Analysis ◽

Structure Activity ◽

H2 Receptors

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Quantitative Structure—Activity Analysis and Database-Aided Bioisosteric Structural Transformation Procedure as Methodologies of Agrochemical Design

ACS Symposium Series - Classical and Three-Dimensional QSAR in Agrochemistry ◽

10.1021/bk-1995-0606.ch002 ◽

1995 ◽

pp. 13-34 ◽

Cited By ~ 9

Author(s):

Toshio Fujita

Keyword(s):

Structural Transformation ◽

Activity Analysis ◽

Quantitative Structure ◽

Transformation Procedure ◽

Structure Activity

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Three-Dimensional Quantitative Structure—Activity Analysis of Steroidal and Dibenzoylhydrazine-Type Ecdysone Agonists

ACS Symposium Series - Classical and Three-Dimensional QSAR in Agrochemistry ◽

10.1021/bk-1995-0606.ch022 ◽

1995 ◽

pp. 288-301 ◽

Cited By ~ 21

Author(s):

Yoshiaki Nakagawa ◽

Bun-ichi Shimizu ◽

Nobuhiro Oikawa ◽

Miki Akamatsu ◽

Keiichiro Nishimura ◽

...

Keyword(s):

Three Dimensional ◽

Activity Analysis ◽

Quantitative Structure ◽

Structure Activity

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Quantitative Structure-Activity Relationships (QSAR) The definition also appears in the Glossary of Terms used in Medicinal Chemistry.

IUPAC Standards Online ◽

10.1515/iupac.69.0112 ◽

2016 ◽

Author(s):

H. Van De Waterbeemd ◽

R. E. Carter ◽

G. Grassy ◽

H. Kubinyi ◽

Y. C. Martin ◽

...

Keyword(s):

Medicinal Chemistry ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure-activity relationship investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 2. Mutagenicity of aromatic and heteroaromatic nitro compounds inSalmonella typhimurium TA100

Environmental and Molecular Mutagenesis ◽

10.1002/em.2850190108 ◽

1992 ◽

Vol 19 (1) ◽

pp. 53-70 ◽

Cited By ~ 61

Author(s):

Asim Kumar Debnath ◽

Rosa L. Lopez Compadre ◽

Alan J. Shusterman ◽

Corwin Hansch

Keyword(s):

Ames Test ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Nitro Compounds ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity

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Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3

Journal of Chemical Information and Modeling ◽

10.1021/ci00014a012 ◽

1993 ◽

Vol 33 (4) ◽

pp. 598-603 ◽

Cited By ~ 29

Author(s):

Lowell H. Hall ◽

Robert S. Dailey ◽

Lemont B. Kier

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Higher Order ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity

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Antitumor 1-(X-aryl)-3,3-dialkyltriazenes. 2. On the role of correlation analysis in decision making in drug modification. Toxicity quantitative structure-activity relationships of 1-(X-phenyl)-3,3-dialkyltriazenes in mice

Journal of Medicinal Chemistry ◽

10.1021/jm00204a013 ◽

1978 ◽

Vol 21 (6) ◽

pp. 574-577 ◽

Cited By ~ 28

Author(s):

Corwin Hansch ◽

Gerard J. Hatheway ◽

Frank R. Quinn ◽

Nathaniel Greenberg

Keyword(s):

Decision Making ◽

Correlation Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Drug Modification

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