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Predicting Drug Response and Functio...

Shivakumar, Pavithra.

Predicting Drug Response and Function using Sub-structure Analysis.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Predicting Drug Response and Function using Sub-structure Analysis.
Author:	Shivakumar, Pavithra.
Description:	84 p.
Notes:	Source: Dissertation Abstracts International, Volume: 72-10, Section: B, page: 5658.
Notes:	Adviser: Michael Krauthammer.
Contained By:	Dissertation Abstracts International72-10B.
Subject:	Health Sciences, Pharmacology.
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3467870
ISBN:	9781124806068

Predicting Drug Response and Function using Sub-structure Analysis.
Shivakumar, Pavithra.

Predicting Drug Response and Function using Sub-structure Analysis. - 84 p.

Source: Dissertation Abstracts International, Volume: 72-10, Section: B, page: 5658.

Thesis (Ph.D.)--Yale University, 2011.

An important step in the drug discovery pipeline is the assessment of the drug's biomedical properties such as its protein targets and the molecular pathways it interacts with. In this dissertation, we predict the properties for novel compounds in silico using compound structure and existing chemoinformatic databases such as PubChem. Chapter 2 predicts the cytotoxicity of a novel compound by finding a structurally similar compound with known cytotoxicity. Chapter 3 identifies sub-structures that are associated with biological functions, and uses these associations to predict the function of a novel compound. Since a systems biology approach to drug discovery includes an in-depth understanding of the disease, Chapter 4 focuses on the systematic identification of master regulators in melanoma, a malignant form of skin cancer. Specifically, transcription factors that drive the gene expression changes in melanoma are identified in an effort to elucidate some of the mechanisms underlying melanoma progression.

ISBN: 9781124806068Subjects--Topical Terms:

227166
Health Sciences, Pharmacology.

Predicting Drug Response and Function using Sub-structure Analysis.
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500 $a Source: Dissertation Abstracts International, Volume: 72-10, Section: B, page: 5658.
500 $a Adviser: Michael Krauthammer.
502 $a Thesis (Ph.D.)--Yale University, 2011.
520 $a An important step in the drug discovery pipeline is the assessment of the drug's biomedical properties such as its protein targets and the molecular pathways it interacts with. In this dissertation, we predict the properties for novel compounds in silico using compound structure and existing chemoinformatic databases such as PubChem. Chapter 2 predicts the cytotoxicity of a novel compound by finding a structurally similar compound with known cytotoxicity. Chapter 3 identifies sub-structures that are associated with biological functions, and uses these associations to predict the function of a novel compound. Since a systems biology approach to drug discovery includes an in-depth understanding of the disease, Chapter 4 focuses on the systematic identification of master regulators in melanoma, a malignant form of skin cancer. Specifically, transcription factors that drive the gene expression changes in melanoma are identified in an effort to elucidate some of the mechanisms underlying melanoma progression.
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650 4 $a Health Sciences, Pharmacy. $3 226994
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