The predictivity of the -alert performance- functionality of the OECD QSAR-Toolbox (c/w further issues on the predictivity of nonclinical testing)Suarez-Torres, Jose D.; Ciangherotti, Carlos E.; Jimenez-Orozco, Fausto A. · Toxicology in Vitro · 2020

Predictivity and Reliability of QSAR Models: The Case of Mutagens and CarcinogensBenigni, Romualdo; Bossa, Cecilia · Toxicology Mechanisms and Methods · 2008

The importance of molecular structures, endpoints’ values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor bindersJiazhong Li; Paola Gramatica · 2010

AFMoC Enhances Predictivity of 3D QSAR:  A Case Study with DOXP-reductoisomeraseSilber, Katrin; Heidler, Philipp; Kurz, Thomas; Klebe, Gerhard · Journal of Medicinal Chemistry · 2005

3D QSAR Studies on Protein Tyrosine Phosphatase 1B Inhibitors: Comparison of the Quality and Predictivity Among 3D QSAR Models Obtained from Different Conformer-Based Alignments.Gyanendra Pandey; Anil K. Saxena · 2007

3D QSAR Studies on Protein Tyrosine Phosphatase 1B Inhibitors:  Comparison of the Quality and Predictivity among 3D QSAR Models Obtained from Different Conformer-Based AlignmentsPandey, Gyanendra; Saxena, Anil K. · Journal of Chemical Information and Modeling · 2006

Beware of unreliable Q2! A comparative study of regression metrics for predictivity assessment of QSAR modelsTodeschini, Roberto; Ballabio, Davide; Grisoni, Francesca · Journal of Chemical Information and Modeling · 2016

Structural Alerts of Mutagens and CarcinogensBenigni, Romualdo; Bossa, Cecilia · Current Computer Aided-Drug Design · 2006

QSARs of aromatic amines: Identification of potent carcinogensRainer Franke; Andreas Gruska; Cecilia Bossa; Romualdo Benigni · 2010

Structural motifs modulating the carcinogenic risk of aromatic aminesRomualdo Benigni; Andrew Worth; Tatiana Netzeva; Nina Jeliazkova; Cecilia Bossa; Andreas Gruska; Rainer Franke · 2009

Predictivity and Reliability of QSAR Models: The Case of Mutagens and CarcinogensBenigni, Romualdo; Bossa, Cecilia · Toxicology Mechanisms and Methods · 2008

Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for Predictive ToxicologyBenigni, Romualdo; Bossa, Cecilia · 2011

Flexible use of qsar models in predictive toxicology: A case study on aromatic aminesRomualdo Benigni; Cecilia Bossa · 2012

Data-based review of QSARs for predicting genotoxicity: the state of the artBenigni, Romualdo; Bossa, Cecilia · Mutagenesis · 2018

The Generation of FullerenesBrinkmann, Gunnar; Goedgebeur, Jan; McKay, Brendan D. · Journal of Chemical Information and Modeling · 2012

ACD/Spectrus Processor ReviewKwan, Eugene E. · Journal of Chemical Information and Modeling · 2012

Modeling Robust QSAR ^†Polanski, Jaroslaw; Bak, Andrzej; Gieleciak, Rafal; Magdziarz, Tomasz · Journal of Chemical Information and Modeling · 2006

Morgan revisitedFigueras, John · Journal of Chemical Information and Modeling · 1993

A Marine Natural Product DatabaseLei, J.; Zhou, J. · Journal of Chemical Information and Modeling · 2002

Chemical Structure and SuperconductivityKing, R.B. · Journal of Chemical Information and Modeling · 1999

Chemoisosterism in the ProteomeJalencas, Xavier; Mestres, Jordi · Journal of Chemical Information and Modeling · 2013

CHEMTEXTWolman, Yecheskel · Journal of Chemical Information and Modeling · 1988