Using computational methods for the prediction of drug vehicles

Pritesh Mistry, Anna Palczewska, Daniel Neagu, Paul Trundle

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review


Drug vehicles are chemical carriers that aid a drug's passage through an organism. Whilst they possess no intrinsic efficacy they are designed to achieve desirable characteristics which can include improving a drug's permeability and or solubility, targeting a drug to a specific site or reducing a drug's toxicity. All of which are ideally achieved without compromising the efficacy of the drug. Whilst the majority of drug vehicle research is focused on the solubility and permeability issues of a drug, significant progress has been made on using vehicles for toxicity reduction. Achieving this can enable safer and more effective use of a potent drug against diseases such as cancer. From a molecular perspective, drugs activate or deactivate biochemical pathways through interactions with cellular macromolecules resulting in toxicity. For newly developed drugs such pathways are not always clearly understood but toxicity endpoints are still required as part of a drug's registration. An understanding of which vehicles could be used to ameliorate the unwanted toxicities of newly developed drugs would be highly desirable to the pharmaceutical industry. In this paper we demonstrate the use of different classifiers as a means to select vehicles best suited to avert a drug's toxic effects when no other information about a drug's characteristics is known. Through analysis of data acquired from the Developmental Therapeutics Program (DTP) we are able to establish a link between a drug's toxicity and vehicle used. We demonstrate that classification and selection of the appropriate vehicle can be made based on the similarity of drug choice.

Original languageEnglish
Title of host publication2014 14th UK Workshop on Computational Intelligence (UKCI)
EditorsDaniel Neagu, Mariam Kiran, Paul Trundle
PublisherInstitute of Electrical and Electronics Engineers Inc.
Number of pages7
ISBN (Electronic)9781479955381, 9781479955374
Publication statusPublished - 20 Oct 2014
Externally publishedYes
Event14th UK Workshop on Computational Intelligence - University of Bradford, Bradford, United Kingdom
Duration: 8 Sep 201410 Sep 2014
Conference number: 14 (Link to Conference Website )

Publication series

NameUK Workshop on Computational Intelligence
ISSN (Print)2162-7657


Workshop14th UK Workshop on Computational Intelligence
Abbreviated titleUKCI 2014
Country/TerritoryUnited Kingdom
Internet address

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