Andrea Mauri

Virtual Computational Chemistry Laboratory – Design and Description

Igor V. Tetko, Johann Gasteiger, Roberto Todeschini et al. · Journal of Computer-Aided Molecular Design · 2005 · 1.5K citations

Virtual Screening, Engineering, Virtual Engineering +4

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

Faizan Sahigara, Kamel Mansouri, Davide Ballabio et al. · Molecules · 2012 · 573 citations · Full text

Drug Target, Engineering, Machine Learning +23

DRAGON SOFTWARE: AN EASY APPROACH TO MOLECULAR DESCRIPTOR CALCULATIONS

Andrea Mauri, Viviana Consonni, Manuela Pavan et al. · BOA (University of Milano-Bicocca) · 2006 · 508 citations

Main Characteristics, Systems Biology, Engineering +11

Detecting “bad” regression models: multicriteria fitness functions in regression analysis

Roberto Todeschini, Viviana Consonni, Andrea Mauri et al. · Analytica Chimica Acta · 2004 · 176 citations

Fitness Measure, Engineering, Model Analysis +8

CATMoS: Collaborative Acute Toxicity Modeling Suite

Kamel Mansouri, Agnes L. Karmaus, Jeremy Fitzpatrick et al. · Environmental Health Perspectives · 2021 · 129 citations · Full text