Exploring the chemical space of multitarget ligands using aligned self-organizing maps

ACS Medicinal Chemistry Letters

Volumn 4, Issue 12, 2013, Pages 1169-1172

  Achenbach, Janosch ^a   Klingler, Franca Maria ^a   Blöcher, René ^a   Moser, Daniel ^a   Häfner, Ann Kathrin ^a   Rödl, Carmen B ^a   Kretschmer, Simon ^a   Krüger, Björn ^b   Löhr, Frank ^a   Stark, Holger ^a   Hofmann, Bettina ^a   Steinhilber, Dieter ^a   Proschak, Ewgenij ^a  

^a GOETHE UNIVERSITY   (Germany)

^b MERZ PHARMACEUTICALS GMBH   (Germany)

Author keywords

5 lipoxygenase; Aligned self organizing maps; soluble epoxide hydrolase; structure activity relationships

Indexed keywords

AMIDE; ARACHIDONATE 5 LIPOXYGENASE; BENZIMIDAZOLE DERIVATIVE; BENZOXAZOLE DERIVATIVE; EPOXIDE HYDROLASE; LIGAND; THIAZOLE DERIVATIVE; UREA;

ARTICLE; BINDING AFFINITY; CHEMICAL PARAMETERS; CHEMICAL SPACE; COMPUTER MODEL; DOSE RESPONSE; DRUG IDENTIFICATION; DRUG POTENCY; DRUG STRUCTURE; IC 50; IN VITRO STUDY; LIGAND BINDING; MOLECULAR WEIGHT; PRIORITY JOURNAL;

EID: 84890449949     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml4002562     Document Type: Article

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