ADMEToxGRID: First experiences with an enterprise Grid for drug discovery

Róbert Lovas; Gábor Gombás; Norbert Podhorszki; Gábor Pocze; Péter Hliva; Zsolt Gulyás; András Petz

ADMEToxGRID: First experiences with an enterprise Grid for drug discovery

Róbert Lovas, Gábor Gombás, Norbert Podhorszki, Gábor Pocze, Péter Hliva, Zsolt Gulyás, András Petz

Research output: Contribution to conference › Paper › peer-review

Abstract

One of the basic issues of modern drug discovery is the exclusion of chemically unstable, biologically inactive and toxic compounds from the research process in the early stages, thereby reducing the cost and the time period of the drug development. The main purpose of the ADMEToxGrid project is to develop an enterprise Grid system that is suitable for predicting these chemical parameters of millions of compounds in a short time and in a secure manner, while also exploiting the free capacity of the office computers located at the different site of the company. In this paper we describe the development of the grid framework as well as the first experiences with these chemical applications.

Original language	English
State	Published - 2006
Externally published	Yes
Event	MIPRO 2006 - 29th International Convention: Microelectronics, Electronics and Electronic Technologies, MEET, Hypermedia and Grid Systems HGS - Opatija, Croatia Duration: May 22 2006 → May 26 2006

Conference

Conference	MIPRO 2006 - 29th International Convention: Microelectronics, Electronics and Electronic Technologies, MEET, Hypermedia and Grid Systems HGS
Country/Territory	Croatia
City	Opatija
Period	05/22/06 → 05/26/06

Cite this

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abstract = "One of the basic issues of modern drug discovery is the exclusion of chemically unstable, biologically inactive and toxic compounds from the research process in the early stages, thereby reducing the cost and the time period of the drug development. The main purpose of the ADMEToxGrid project is to develop an enterprise Grid system that is suitable for predicting these chemical parameters of millions of compounds in a short time and in a secure manner, while also exploiting the free capacity of the office computers located at the different site of the company. In this paper we describe the development of the grid framework as well as the first experiences with these chemical applications.",

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ADMEToxGRID: First experiences with an enterprise Grid for drug discovery. / Lovas, Róbert; Gombás, Gábor; Podhorszki, Norbert et al.
2006. Paper presented at MIPRO 2006 - 29th International Convention: Microelectronics, Electronics and Electronic Technologies, MEET, Hypermedia and Grid Systems HGS, Opatija, Croatia.

Research output: Contribution to conference › Paper › peer-review

TY - CONF

T1 - ADMEToxGRID

T2 - MIPRO 2006 - 29th International Convention: Microelectronics, Electronics and Electronic Technologies, MEET, Hypermedia and Grid Systems HGS

AU - Lovas, Róbert

AU - Gombás, Gábor

AU - Podhorszki, Norbert

AU - Pocze, Gábor

AU - Hliva, Péter

AU - Gulyás, Zsolt

AU - Petz, András

PY - 2006

Y1 - 2006

N2 - One of the basic issues of modern drug discovery is the exclusion of chemically unstable, biologically inactive and toxic compounds from the research process in the early stages, thereby reducing the cost and the time period of the drug development. The main purpose of the ADMEToxGrid project is to develop an enterprise Grid system that is suitable for predicting these chemical parameters of millions of compounds in a short time and in a secure manner, while also exploiting the free capacity of the office computers located at the different site of the company. In this paper we describe the development of the grid framework as well as the first experiences with these chemical applications.

AB - One of the basic issues of modern drug discovery is the exclusion of chemically unstable, biologically inactive and toxic compounds from the research process in the early stages, thereby reducing the cost and the time period of the drug development. The main purpose of the ADMEToxGrid project is to develop an enterprise Grid system that is suitable for predicting these chemical parameters of millions of compounds in a short time and in a secure manner, while also exploiting the free capacity of the office computers located at the different site of the company. In this paper we describe the development of the grid framework as well as the first experiences with these chemical applications.

UR - http://www.scopus.com/inward/record.url?scp=84895868886&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:84895868886

Y2 - 22 May 2006 through 26 May 2006

ER -

ADMEToxGRID: First experiences with an enterprise Grid for drug discovery

Abstract

Conference

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