QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae

10.1002/minf.201200075

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Bibliographic Details
Main Authors:	Gramatica, P., Cassani, S., Roy, P.P., Kovarich, S., Yap, C.W., Papa, E.
Other Authors:	PHARMACY
Format:	Article
Published:	2014
Subjects:	Chemical structure pitfalls Molecular descriptors QSAR tutorial REACH SMILES Triazole algae toxicity Validation
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/106271
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Institution:	National University of Singapore

id	sg-nus-scholar.10635-106271
record_format	dspace
spelling	sg-nus-scholar.10635-1062712023-10-27T09:09:43Z QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae Gramatica, P. Cassani, S. Roy, P.P. Kovarich, S. Yap, C.W. Papa, E. PHARMACY Chemical structure pitfalls Molecular descriptors QSAR tutorial REACH SMILES Triazole algae toxicity Validation 10.1002/minf.201200075 Molecular Informatics 31 11-12 817-835 MIONB 2014-10-29T01:57:36Z 2014-10-29T01:57:36Z 2012-12 Article Gramatica, P., Cassani, S., Roy, P.P., Kovarich, S., Yap, C.W., Papa, E. (2012-12). QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae. Molecular Informatics 31 (11-12) : 817-835. ScholarBank@NUS Repository. https://doi.org/10.1002/minf.201200075 18681743 http://scholarbank.nus.edu.sg/handle/10635/106271 000312693300006 Scopus
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	Chemical structure pitfalls Molecular descriptors QSAR tutorial REACH SMILES Triazole algae toxicity Validation
spellingShingle	Chemical structure pitfalls Molecular descriptors QSAR tutorial REACH SMILES Triazole algae toxicity Validation Gramatica, P. Cassani, S. Roy, P.P. Kovarich, S. Yap, C.W. Papa, E. QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
description	10.1002/minf.201200075
author2	PHARMACY
author_facet	PHARMACY Gramatica, P. Cassani, S. Roy, P.P. Kovarich, S. Yap, C.W. Papa, E.
format	Article
author	Gramatica, P. Cassani, S. Roy, P.P. Kovarich, S. Yap, C.W. Papa, E.
author_sort	Gramatica, P.
title	QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
title_short	QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
title_full	QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
title_fullStr	QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
title_full_unstemmed	QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae
title_sort	qsar modeling is not "push a button and find a correlation": a case study of toxicity of (benzo-)triazoles on algae
publishDate	2014
url	http://scholarbank.nus.edu.sg/handle/10635/106271
_version_	1781788211015581696

QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae

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