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Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_69029883

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models

About this item

Full title

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models

Publisher

Netherlands: Springer Nature B.V

Journal title

Journal of computer-aided molecular design, 2007-10, Vol.21 (10-11), p.559-573

Language

English

Formats

Publication information

Publisher

Netherlands: Springer Nature B.V

More information

Scope and Contents

Contents

In-silico models were generated to predict the extent of inhibition of cytochrome P450 isoenzymes using a set of relatively interpretable descriptors in conjunction with partial least squares (PLS) and regression trees (RT). The former was chosen due to the conservative nature of the resultant models built and the latter to more effectively account...

Alternative Titles

Full title

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_proquest_miscellaneous_69029883

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_69029883

Other Identifiers

ISSN

0920-654X

E-ISSN

1573-4951

DOI

10.1007/s10822-007-9139-6

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