Special Issue "Computational Toxicology: Predicting Potential Toxicity of Drugs and Therapeutics"
Deadline for manuscript submissions: closed (15 August 2014).
Interests: structure-toxicity relationships; translational biomarkers; computational systems toxicology
Special Issues and Collections in MDPI journals
Special Issue in International Journal of Molecular Sciences: Frontiers in Drug Toxicity Prediction
Special Issue in International Journal of Molecular Sciences: The Evolving Role of Translational Toxicology in the Era of Translational Research and Science
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
Manuscript Submission Information
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. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short 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 thoroughly refereed through a single-blind 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 semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Structural alerts
- Biological pathway perturbations
- Systems biology
- High-throughput screening
- Network pharmacology
- Systems toxicology
- Drug safety