DOI: 10.1002/qsar.200330825. Collection of Bioactive Reference Compounds for Focused Library Design

Collection of Bioactive Reference Compounds for Focused Library Design

10.1002/qsar.200330825

Crossref journal-article

Wiley

QSAR & Combinatorial Science (311)

Abstract

AbstractA collection of reference molecules for ligand‐based library design was compiled from the recent scientific literature. Selected properties of this set of 4,236 drugs and drug candidates were analyzed and compared to previous studies. Lipophilicity and molecular weight distributions revealed a trend toward larger, more lipophilic molecules of newer drug candidates. Using the compound collection as a source of reference data, a method for visualization of molecule distributions in a pharmacophore space by self‐organizing maps (SOM) was developed which can be used for virtual library design. Potential applications of this “pharmacophore road map” approach are discussed.

Bibliography

Schneider, P., & Schneider, G. (2003). Collection of Bioactive Reference Compounds for Focused Library Design. QSAR & Combinatorial Science, 22(7), 713â718. Portico.

Authors 2

Petra Schneider (first)
Gisbert Schneider (additional)

References 41 Referenced 120

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Dates

Type	When
Created	21 years, 10 months ago (Oct. 22, 2003, 3:35 p.m.)
Deposited	1 year, 9 months ago (Nov. 17, 2023, 5:37 p.m.)
Indexed	2 months, 3 weeks ago (June 6, 2025, 5:08 a.m.)
Issued	21 years, 10 months ago (Oct. 1, 2003)
Published	21 years, 10 months ago (Oct. 1, 2003)
Published Online	21 years, 8 months ago (Dec. 8, 2003)
Published Print	21 years, 10 months ago (Oct. 1, 2003)

Funders 0

None

BibTeX

@article{Schneider_2003, title={Collection of Bioactive Reference Compounds for Focused Library Design}, volume={22}, ISSN={1611-0218}, url={http://dx.doi.org/10.1002/qsar.200330825}, DOI={10.1002/qsar.200330825}, number={7}, journal={QSAR & Combinatorial Science}, publisher={Wiley}, author={Schneider, Petra and Schneider, Gisbert}, year={2003}, month=oct, pages={713–718} }

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