(Q45961995)

18 December 2017

title

Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction. (English)

1 reference

18 December 2017

2

Georg Hinselmann

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18 December 2017

author name string

Andreas Jahn

1

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18 December 2017

Lars Rosenbaum

3

1 reference

18 December 2017

Nikolas Fechner

4

1 reference

18 December 2017

Andreas Zell

5

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18 December 2017

publication date

5 April 2011

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18 December 2017

published in

Molecular Informatics

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18 December 2017

volume

30

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18 December 2017

issue

4

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18 December 2017

page(s)

307-315

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18 December 2017

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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https://api.crossref.org/works/10.1002%2FMINF.201000120

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

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Algorithm 97: Shortest path

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21 January 2018

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Context-specific independence mixture modeling for positional weight matrices

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A comparison of methods for modeling quantitative structure-activity relationships

21 January 2018

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Partial charge calculation method affects CoMFA QSAR prediction accuracy

21 January 2018

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Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.

21 January 2018

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Three-dimensional quantitative structure-activity relationships of sulfonamide endothelin inhibitors

21 January 2018

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8 April 2023

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Global 3D-QSAR methods: MS-WHIM and autocorrelation

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An internal-coordinate Monte Carlo method for searching conformational space

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Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

8 April 2023

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EVA: a new theoretically based molecular descriptor for use in QSAR/QSPR analysis

8 April 2023

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8 April 2023

Identifiers

DOI

10.1002/MINF.201000120

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18 December 2017

1 reference

18 December 2017