Nonlinear dimensionality reduction for visualizing toxicity data: distance-based versus topology-based approaches.

Kireeva, Natalia V; Ovchinnikova, Svetlana I; Tetko, Igor V; Asiri, Abdullah M; Balakin, Konstantin V; Tsivadze, Aslan Yu

Kireeva, Natalia V; Ovchinnikova, Svetlana I; Tetko, Igor V; Asiri, Abdullah M; Balakin, Konstantin V; Tsivadze, Aslan Yu.

Affiliation

Kireeva NV; Laboratory of New Physical-Chemical Problems, Frumkin Institute of Physical, Chemistry & Electrochemistry, Russian Academy of Sciences, Leninsky pr-t 31, 119071 Moscow (Russia); Department of Molecular Physics, Moscow Institute of Physics & Technology, Institutsky per. 9, 141700, Dolgoprudny (Russia). nkireeva@gmail.com.

ChemMedChem ; 9(5): 1047-59, 2014 May.

Article in En | MEDLINE | ID: mdl-24729490

Subject(s)

Nonlinear Dynamics; Statistics as Topic/methods; Toxicity Tests, Acute; Algorithms; Computer Simulation; Databases, Factual; Diffusion; Ether-A-Go-Go Potassium Channels/antagonists & inhibitors; Humans; Models, Statistical; Oxidation-Reduction; Phospholipids/metabolism

Key words

chemography; chemoinformatics; dimensionality reduction; drug design; topographic mapping

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Statistics as Topic / Nonlinear Dynamics / Toxicity Tests, Acute Type of study: Risk_factors_studies Limits: Humans Language: En Journal: ChemMedChem Journal subject: FARMACOLOGIA / QUIMICA Year: 2014 Document type: Article Country of publication: Germany

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