Quantitative Structure-Activity Relationships
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Published By Wiley (John Wiley & Sons)

1521-3838, 0931-8771
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3D QSAR of Serotonin Transporter Ligands: CoMFA and CoMSIA Studies

2002 ◽  
Vol 21 (6) ◽  
pp. 577-589 ◽  
Author(s):  
Julia Wellsow ◽  
Hans-Jürgen Machulla ◽  
Karl-Artur Kovar
Keyword(s):  
Serotonin Transporter ◽  
3D Qsar

scholarly journals Scaffold Searching: Automated Identification of Similar Ring Systems for the Design of Combinatorial Libraries

2002 ◽  
Vol 21 (6) ◽  
pp. 590-597 ◽  
Author(s):  
Martin Bohl ◽  
James Dunbar ◽  
Eric M. Gifford ◽  
Trevor Heritage ◽  
David J. Wild ◽  
...  
Keyword(s):  
Combinatorial Libraries ◽  
Automated Identification ◽  
Ring Systems

scholarly journals Identification of Diverse Database Subsets using Property-Based and Fragment-Based Molecular Descriptions

2002 ◽  
Vol 21 (6) ◽  
pp. 598-604 ◽  
Author(s):  
Mark Ashton ◽  
John Barnard ◽  
Florence Casset ◽  
Michael Charlton ◽  
Geoffrey Downs ◽  
...  

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

2002 ◽  
Vol 21 (5) ◽  
pp. 457-472 ◽  
Author(s):  
Benjamin G. Tehan ◽  
Edward J. Lloyd ◽  
Margaret G. Wong ◽  
Will R. Pitt ◽  
John G. Montana ◽  
...  
Keyword(s):  
Carboxylic Acids ◽  
Molecular Orbital ◽  
Semiempirical Molecular Orbital
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