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A new computer program for QSAR‐analysis: ARTE‐QSAR
Author(s) -
Damme Sofie Van,
Bultinck Patrick
Publication year - 2007
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.20664
Subject(s) - quantitative structure–activity relationship , computer science , range (aeronautics) , regression analysis , artificial intelligence , machine learning , data mining , engineering , aerospace engineering
A new computer program has been designed to build and analyze quantitative–structure activity relationship (QSAR) models through regression analysis. The user is provided with a range of regression and validation techniques. The emphasis of the program lies mainly in the validation of QSAR models in chemical applications. ARTE‐QSAR produces an easy interpretable output from which the user can conclude if the obtained model is suitable for prediction and analysis. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007.