A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents-Reference-Cited by-同舟云学术

A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents

Published:2015 Issue:12 Volume:17 Page:5182-5188
ISSN:1463-9262
Container-title:Green Chemistry
language:en
Short-container-title:Green Chem.

Author:

Vanderveen J. R.¹²³⁴,Patiny L.⁵⁶⁷⁸,Chalifoux C. B.¹²³⁴,Jessop M. J.¹²³⁴,Jessop P. G.¹²³⁴

Affiliation:

1. Department of Chemistry

2. Queen's University

3. Kingston

4. Canada K7L 3N6

5. Ecole Polytechnique Fédérale de Lausanne (EPFL)

6. Institute of Chemical Sciences and Engineering (ISIC)

7. Lausanne

8. Switzerland

Abstract

QSAR-based virtual screening makes it easier to identify lead structures that could simultaneously satisfy several performance criteria and several green criteria.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/GC/C5GC01022E

Reference36 articles.

1. QSAR of phytochemicals for the design of better drugs

2. Best Practices for QSAR Model Development, Validation, and Exploitation

3. Fragment-based QSAR: perspectives in drug design

4. Quantitative Structure-Activity/Property Relationships: The Ubiquitous Links between Cause and Effect

5. VIRTUAL SCREENING FOR ENVIRONMENTAL POLLUTANTS: STRUCTURE–ACTIVITY RELATIONSHIPS APPLIED TO A DATABASE OF INDUSTRIAL CHEMICALS

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