Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space-Reference-Cited by-同舟云学术

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Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space

Published:2012-05 Issue:5 Volume:31 Page:369-383
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

García-Sosa Alfonso T.,Oja Mare,Hetényi Csaba,Maran Uko

Funder

Estonian Science Foundation

Estonian Ministry for Education and Research

EU - European Social Fund

János Bolyai Research Scholarship

Hungarian Academy of Sciences

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201100094/fullpdf

Reference84 articles.

1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

2. The Properties of Known Drugs. 1. Molecular Frameworks

3. Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms

4. A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases

5. Computational methods for the prediction of ‘drug-likeness’

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