How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)

Monika Nendza, Structure-Activity Relationships in Environmental Sciences ,(2013)

Thomas Hartung, Susanne Bremer, Silvia Casati, Sandra Coecke, Raffaella Corvi, Salvador Fortaner, Laura Gribaldo, Marlies Halder, Sebastian Hoffmann, Annett Janusch Roi, Pilar Prieto, Enrico Sabbioni, Laurie Scott, Andrew Worth, Valérie Zuang, None, A modular approach to the ECVAM principles on test validity. Atla-alternatives To Laboratory Animals. ,vol. 32, pp. 467- 472 ,(2004) , 10.1177/026119290403200503

Philip Rowe, Essential Statistics for the Pharmaceutical Sciences ,(2007)

Joanna Jaworska, Nina Nikolova-Jeliazkova, Tom Aldenberg, QSAR Applicability Domain Estimation by Projection of the Training Set in Descriptor Space: A Review: Atla-alternatives To Laboratory Animals. ,vol. 33, pp. 445- 459 ,(2005) , 10.1177/026119290503300508

Roberto Todeschini, Viviana Consonni, Handbook of Molecular Descriptors ,(2002)

Tatiana I. Netzeva, Andrew P. Worth, Tom Aldenberg, Romualdo Benigni, Mark T.D. Cronin, Paola Gramatica, Joanna S. Jaworska, Scott Kahn, Gilles Klopman, Carol A. Marchant, Glenn Myatt, Nina Nikolova-Jeliazkova, Grace Y. Patlewicz, Roger Perkins, David W. Roberts, Terry W. Schultz, David T. Stanton, Johannes J.M. van de Sandt, Weida Tong, Gilman Veith, Chihae Yang, Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. Atla-alternatives To Laboratory Animals. ,vol. 33, pp. 155- 173 ,(2005) , 10.1177/026119290503300209

Alexander Golbraikh, Min Shen, Zhiyan Xiao, Yun-De Xiao, Kuo-Hsiung Lee, Alexander Tropsha, Rational selection of training and test sets for the development of validated QSAR models. Journal of Computer-aided Molecular Design. ,vol. 17, pp. 241- 253 ,(2003) , 10.1023/A:1025386326946

Stephen Roger Johnson, Peter C. Jurs, Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks Verlag Helvetica Chimica Acta. pp. 29- 48 ,(2007) , 10.1002/9783906390406.CH2

H.Frederick Frasch, Douglas P Landsittel, Regarding the sources of data analyzed with quantitative structure–skin permeability relationship methods (commentary on ‘Investigation of the mechanism of flux across human skin in vitro by quantitative structure–permeability relationships’) European Journal of Pharmaceutical Sciences. ,vol. 15, pp. 399- 403 ,(2002) , 10.1016/S0928-0987(02)00053-2

John D. Walker, Joanna Jaworska, Mike H.I. Comber, T. Wayne Schultz, John C. Dearden, Guidelines for developing and using quantitative structure-activity relationships. Environmental Toxicology and Chemistry. ,vol. 22, pp. 1653- 1665 ,(2003) , 10.1897/01-627