WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS

ABSTRACT The weighted holistic invariant molecular-three dimensional-quantitative structure property relationship (WHIM- 3D-QSPR) approach has been applied to the study of the aqueous solubility (- log Sw) of chlorinated hydrocarbon compounds (CHC's). The obtained QSPR model is predictive and o...

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Main Author:	Perpustakaan UGM, i-lib
Format:	Article NonPeerReviewed
Published:	[Yogyakarta] : Universitas Gadjah Mada 2008
Subjects:	Jurnal i-lib UGM
Online Access:	https://repository.ugm.ac.id/27903/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=10966
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Institution:	Universitas Gadjah Mada

id	id-ugm-repo.27903
record_format	dspace
spelling	id-ugm-repo.279032014-06-18T00:25:09Z https://repository.ugm.ac.id/27903/ WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS Perpustakaan UGM, i-lib Jurnal i-lib UGM ABSTRACT The weighted holistic invariant molecular-three dimensional-quantitative structure property relationship (WHIM- 3D-QSPR) approach has been applied to the study of the aqueous solubility (- log Sw) of chlorinated hydrocarbon compounds (CHC's). The obtained QSPR model is predictive and only requires four WHIM-3D descriptors in the calculation. The correlation equation of the model that is based on a training set of 50 CHC's compound has statistical parameters: standard coefficient correlation (~) =0.948 [Yogyakarta] : Universitas Gadjah Mada 2008 Article NonPeerReviewed Perpustakaan UGM, i-lib (2008) WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS. Jurnal i-lib UGM. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=10966
institution	Universitas Gadjah Mada
building	UGM Library
country	Indonesia
collection	Repository Civitas UGM
topic	Jurnal i-lib UGM
spellingShingle	Jurnal i-lib UGM Perpustakaan UGM, i-lib WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
description	ABSTRACT The weighted holistic invariant molecular-three dimensional-quantitative structure property relationship (WHIM- 3D-QSPR) approach has been applied to the study of the aqueous solubility (- log Sw) of chlorinated hydrocarbon compounds (CHC's). The obtained QSPR model is predictive and only requires four WHIM-3D descriptors in the calculation. The correlation equation of the model that is based on a training set of 50 CHC's compound has statistical parameters: standard coefficient correlation (~) =0.948
format	Article NonPeerReviewed
author	Perpustakaan UGM, i-lib
author_facet	Perpustakaan UGM, i-lib
author_sort	Perpustakaan UGM, i-lib
title	WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
title_short	WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
title_full	WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
title_fullStr	WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
title_full_unstemmed	WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
title_sort	whim-3d-qspr approach for predicting aqueous solubility of chlorinated hydrocarbons
publisher	[Yogyakarta] : Universitas Gadjah Mada
publishDate	2008
url	https://repository.ugm.ac.id/27903/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=10966
_version_	1681219047180468224

WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS

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