Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development-Reference-Cited by-同舟云学术

Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development

Published:2016-10-25 Issue:3 Volume:36 Page:1600082
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Tetko Igor V.¹²,Maran Uko³,Tropsha Alexander⁴⁵

Affiliation:

1. Institute of Structural Biology; Helmholtz Zentrum München -; German Research Center for Environmental Health (GmbH); Institute of Structural Biology; Ingolstädter Landstraße 1, D- 85764 Neuherberg Germany

2. BigChem GmbH; Ingolstädter Landstraße 1, b. 60w, D- 85764 Neuherberg Germany

3. Institute of Chemistry; University of Tartu; Ravila 14A Tartu 50411 Estonia

4. Laboratory for Molecular Modeling; Division of Chemical Biology and Medicinal Chemistry; UNC Eshelman School of Pharmacy; University of North Carolina; Chapel Hill, NC 27599 USA

5. Butlerov Institute of Chemistry; Kazan Federal University; Kremlyovskaya St. 18 420008 Kazan Russia

Publisher

Wiley

Subject

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

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201600082/fullpdf

Reference91 articles.

1. QSAR Modeling: Where Have You Been? Where Are You Going To?

2. A renaissance of neural networks in drug discovery

3. How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)

4. The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)

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