(Q31037698)

28 June 2017

title

Enantiophore modeling in 3D-QSAR. A data mining application on Whelk-O1 chiral stationary phase (English)

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28 June 2017

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Alberto Del Rio

1

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Christian Roussel

object named as

Christian Roussel

series ordinal

3

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author name string

Patrick Piras

series ordinal

2

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28 June 2017

publication date

1 August 2006

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28 June 2017

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28 June 2017

volume

18

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28 June 2017

issue

7

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28 June 2017

page(s)

498-508

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Quantitative structure-activity relationships for the enantioselectivity of oxirane ring-opening catalyzed by epoxide hydrolases

28 June 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.20281

QSAR modeling using chirality descriptors derived from molecular topology

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Atomistic modeling of enantioselection in chromatography

21 January 2018

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7 January 2021

Atomistic modeling of enantioselective binding

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7 January 2021

Quantitative structure–enantioselective retention relationships for chromatographic separation of arylalkylcarbinols on Pirkle type chiral stationary phases

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Prediction of chiral chromatographic separations using combined multivariate regression and neural networks

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7 January 2021

Modeling the chromatographic enantioseparation of aryl- and hetarylcarbinols on ULMO, a brush-type chiral stationary phase, by 3D-QSAR techniques

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7 January 2021

Prediction of enantiomeric selectivity in chromatography

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Deriving a quantitative chirality measure from molecular similarity indices

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Quantitative structure-retention relationships of antimicrobial hydrazides evaluated by reverse-phase liquid chromatography

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

A QSERR study on enantioselective separation of enantiomeric sulphoxides

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7 January 2021

Stereoselective binding of 2,3-substituted 3-hydroxypropionic acids on an immobilised human serum albumin chiral stationary phase: stereochemical characterisation and quantitative structure-retention relationship study

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7 January 2021

Chiral liquid chromatography contribution to the determination of the absolute configuration of enantiomers.

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Data mining and enantiophore studies on chiral stationary phases used in HPLC separation

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7 January 2021

GRID/CPCA: a new computational tool to design selective ligands.

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https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR study.

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7 January 2021

Classical QSAR and comparative molecular field analyses of the host-guest interaction of organic molecules with cyclodextrins

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7 January 2021

Using stereocartography for predicting efficacy of stereoinduction by chiral catalysts

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7 January 2021

Comparative molecular field analysis of quinine derivatives used as chiral selectors in liquid chromatography: 3D QSAR for the purposes of molecular design of chiral stationary phases

1 reference

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7 January 2021

Prediction of properties of chiral compounds by molecular topology

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Rational selection of training and test sets for the development of validated QSAR models

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Effects of nonlinearities and uncorrelated or correlated errors in realistic simulated data on the prediction abilities of augmented classical least squares and partial least squares

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Theoretical reassessment of Whelk-O1 as an enantioselective receptor for 1-(4-halogeno-phenyl)-1-ethylamine derivatives

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.20281

7 January 2021

Effect of superfluous remote polar functionality on chiral recognition

1 reference

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7 January 2021

Towards a general model for protein-substrate stereoselectivity

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7 January 2021

Identifiers

DOI

10.1002/CHIR.20281

1 reference

release_tbl4qyz4c5coxibsz5p4vwzw4e

28 June 2017

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/tbl4qyz4c5coxibsz5p4vwzw4e

24 November 2022

mapped directly with Wikidata item

1 reference