@inproceedings{ed245ec5fda54082aae67eb6a1c7cc0f,
title = "Prediction of modulators of pyruvate kinase in smiles text using aprori methods",
abstract = "Pyruvate kinase is an enzyme that catalyzes the formation of pyruvate from phosphenolpyruvate in glycolysis. There is a wealth of data on the activity of certain molecules and their effects on pyruvate kinase. This project aims to create an application that uses a pyruvate kinase dataset to determine the nature of unidentified molecules; whether or not they would be activators or inhibitors of this enzyme. This application uses an Apriori algorithm to identify or predict modulators of pyruvate kinase. This initial study focuses on simplified molecular input line entry specification (SMILES) text as target data to be mined. The three dimensional structure of pyruvate kinase is known and accessible though the Protein Data Bank (e.g., PDB code IA3W).",
keywords = "Apriori, Confidence & support, Data mining, Enzymes",
author = "Jason Caronna and Rojita Sharma and Jonathan Marra and Iuorno, {Virginia L.} and Herbert, {Katherine G.} and Toney, {Jeffrey H.}",
year = "2007",
doi = "10.1145/1268784.1268918",
language = "English",
isbn = "1595936106",
series = "ITiCSE 2007: 12th Annual Conference on Innovation and Technology in Computer Science Education - Inclusive Education in Computer Science",
pages = "348",
booktitle = "ITiCSE 2007",
note = "ITiCSE 2007: 12th Annual Conference on Innovation and Technology in Computer Science Education - Inclusive Education in Computer Science ; Conference date: 25-06-2007 Through 27-06-2007",
}