QSARs, Data and Error in the Modern Age of Drug Discovery

Christian      Kramer; Richard      Lewis

doi:10.2174/156802612804547380

Abstract

The legacy of the advances made in high-throughput screening (HTS) in the 1990's is a large source of public data from which models can be derived using QSAR methods. This paper will examine the integrity of these public data sources and the implications for model building.

Keywords: QSAR, high throughput screenings, drug discovery, error analysis, public databases

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Current Topics in Medicinal Chemistry

Title:QSARs, Data and Error in the Modern Age of Drug Discovery

Volume: 12 Issue: 17

Author(s): Christian Kramer and Richard Lewis

Affiliation:

Keywords: QSAR, high throughput screenings, drug discovery, error analysis, public databases

Abstract: The legacy of the advances made in high-throughput screening (HTS) in the 1990's is a large source of public data from which models can be derived using QSAR methods. This paper will examine the integrity of these public data sources and the implications for model building.

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Kramer Christian and Lewis Richard, QSARs, Data and Error in the Modern Age of Drug Discovery, Current Topics in Medicinal Chemistry 2012; 12 (17) . https://dx.doi.org/10.2174/156802612804547380