(Q28293374)

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Predicting activities without computing descriptors: graph machines for QSAR

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Predicting activities without computing descriptors: graph machines for QSAR (English)

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author name string

A Goulon

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1

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T Picot

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2

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A Duprat

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3

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G Dreyfus

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4

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language of work or name

English

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publication date

2007

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PubMed

published in

SAR and QSAR in Environmental Research

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volume

18

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issue

1-2

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page(s)

141-53

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cites work

A general framework for adaptive processing of data structures

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reference URL

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21 January 2018

Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis

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21 January 2018

Ecotoxicity prediction using mechanism- and non-mechanism-based QSARs: a preliminary study

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Crossref

reference URL

https://api.crossref.org/works/10.1080%2F10629360601054313

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21 January 2018

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

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21 January 2018

Recursive distributed representations

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21 January 2018

Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI049965I

Anti-HIV activity of HEPT, TIBO, and cyclic urea derivatives: structure-property studies, focused combinatorial library generation, and hits selection using substructural molecular fragments method.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI020388C

QSAR based on multiple linear regression and PLS methods for the anti-HIV activity of a large group of HEPT derivatives

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI960487O

Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives

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7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI990314+

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DOI

10.1080/10629360601054313

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PubMed publication ID

17365965

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ResearchGate publication ID

6441336

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(Q28293374)

Predicting activities without computing descriptors: graph machines for QSAR

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