Special Issue "Computational Toxicology: Predicting Potential Toxicity of Drugs and Therapeutics"

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A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Toxicology".

Deadline for manuscript submissions: closed (15 August 2014)

Special Issue Editor

Guest Editor
Prof. Dr. Dale Johnson

1 Emiliem, Inc., 6027 Christie Avenue, Emeryville, CA 94608, USA
2
University of California, Berkeley, Morgan Hall, Berkeley, CA 94720, USA
Website: http://nst.berkeley.edu/faculty/johnson.html
Phone: +1 (510) 642-7870
Fax: +1 (510) 642-0535
Interests: nephrotoxicity mechanisms; renal bioactivation of toxicants; structure-toxicity relationships

Special Issue Information

Dear Colleagues,

Computational toxicology is an expanding research area that is becoming a multi-disciplinary fusion of bioinformatics and computational sciences with molecular biology and chemistry. A major goal in therapeutics research is to create more predictive power in the field of toxicology and drug safety throughout the process from early design to marketed products. The field has become multidisciplinary, starting at the stage of chemical synthesis with the goal of reducing potential toxicity in lead compounds, as well as in impurities. Computational analysis progresses through all therapeutic development stages even in assessing potential toxicity in increased risk potential in susceptible patient populations The field relies on the application of computer technology and mathematical/computational methods to analyze, model, and predict potential toxicological effects from chemical structures, exposure characteristics determined by PK/PD modeling and from networks of biological pathways affected by therapeutic agents. The field is progressing rapidly due to increased availability of larger and better curated public databases, open-source predictive tools, and focused commercial applications. Newer technologies for large scale data acquisition, and the prediction of biological effects using systems biology methodology, have expanded the scale and complexity of inquiry to a point where data gaps in knowledge can be filled with predicted values with a high level of confidence.

Prof. Dr. Dale Johnson
Guest Editor

Submission

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed Open Access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs).

Keywords

  • Structural alerts
  • SAR
  • QSAR
  • Biological pathway perturbations
  • Systems biology
  • High-throughput screening
  • Databases
  • Toxicogenomics
  • Metabolomics
  • Network pharmacology
  • Systems toxicology
  • Drug safety

Related Special Issue

Published Papers (8 papers)

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Displaying article 1-8
p. 1008-1029
by , , ,  and
Int. J. Mol. Sci. 2015, 16(1), 1008-1029; doi:10.3390/ijms16011008
Received: 5 September 2014 / Accepted: 23 December 2014 / Published: 5 January 2015
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p. 22835-22856
by , , ,  and
Int. J. Mol. Sci. 2014, 15(12), 22835-22856; doi:10.3390/ijms151222835
Received: 6 August 2014 / Revised: 23 November 2014 / Accepted: 2 December 2014 / Published: 9 December 2014
Show/Hide Abstract | Cited by 3 | PDF Full-text (2814 KB) | HTML Full-text | XML Full-text
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p. 21136-21154
by , , , , , , , ,  and
Int. J. Mol. Sci. 2014, 15(11), 21136-21154; doi:10.3390/ijms151121136
Received: 25 September 2014 / Accepted: 20 October 2014 / Published: 14 November 2014
Show/Hide Abstract | Cited by 8 | PDF Full-text (5161 KB) | HTML Full-text | XML Full-text
p. 19037-19055
by , ,  and
Int. J. Mol. Sci. 2014, 15(10), 19037-19055; doi:10.3390/ijms151019037
Received: 28 August 2014 / Revised: 5 September 2014 / Accepted: 25 September 2014 / Published: 21 October 2014
Show/Hide Abstract | Cited by 1 | PDF Full-text (814 KB) | HTML Full-text | XML Full-text | Supplementary Files
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p. 18856-18891
by  and
Int. J. Mol. Sci. 2014, 15(10), 18856-18891; doi:10.3390/ijms151018856
Received: 18 August 2014 / Revised: 21 September 2014 / Accepted: 8 October 2014 / Published: 20 October 2014
Show/Hide Abstract | Cited by 5 | PDF Full-text (2195 KB) | HTML Full-text | XML Full-text
p. 18162-18174
by , , , , ,  and
Int. J. Mol. Sci. 2014, 15(10), 18162-18174; doi:10.3390/ijms151018162
Received: 8 July 2014 / Revised: 9 September 2014 / Accepted: 17 September 2014 / Published: 9 October 2014
Show/Hide Abstract | Cited by 4 | PDF Full-text (870 KB) | HTML Full-text | XML Full-text | Supplementary Files
p. 17256-17269
by , , , , ,  and
Int. J. Mol. Sci. 2014, 15(10), 17256-17269; doi:10.3390/ijms151017256
Received: 1 July 2014 / Revised: 1 September 2014 / Accepted: 9 September 2014 / Published: 26 September 2014
Show/Hide Abstract | Cited by 1 | PDF Full-text (1801 KB) | HTML Full-text | XML Full-text | Supplementary Files
p. 15767-15777
by , , , , , , ,  and
Int. J. Mol. Sci. 2014, 15(9), 15767-15777; doi:10.3390/ijms150915767
Received: 14 July 2014 / Revised: 22 August 2014 / Accepted: 2 September 2014 / Published: 5 September 2014
Show/Hide Abstract | Cited by 6 | PDF Full-text (969 KB) | HTML Full-text | XML Full-text
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Last update: 7 August 2014

Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert