Comparison of different approaches to define the applicability domain of QSAR models F Sahigara, K Mansouri, D Ballabio, A Mauri, V Consonni, R Todeschini Molecules 17 (5), 4791-4810, 2012 | 362 | 2012 |
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions F Sahigara, D Ballabio, R Todeschini, V Consonni Journal of cheminformatics 5 (1), 1-9, 2013 | 79 | 2013 |
Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection R Todeschini, D Ballabio, V Consonni, F Sahigara, P Filzmoser Analytica chimica acta 787, 1-9, 2013 | 78 | 2013 |
Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective. F Sahigara, D Ballabio, R Todeschini, V Consonni Current computer-aided drug design 10 (2), 137-147, 2014 | 23 | 2014 |
Defining the Applicability Domain of QSAR models: An overview F Sahigara Mol. Descriptors. Free online Resour, 1-6, 2007 | 5 | 2007 |
A High Accuracy QSAR based on rabbit data to predict the human skin irritation potential of individual constituents and mixtures F SAHIGARA, C CHARMEAU-GENEVOIS, P BICHEREL, M PEREA, ... J. Pharmacol. Exp. Ther 82, 377-390, 2016 | 1 | 2016 |
Can the battery of in vitro and in silico methods resolve current deadlocks with skin sensitisation? A Sharma, F Sahigara, C Chesne, FJ Bauer, P Thomas, CC Genevois TOXICOLOGY LETTERS 314, S262-S263, 2019 | | 2019 |
iSafeRabbit QSAR To Predict Skin And Eye Irritation Potency Of Organic Chemicals M Delannoy, C Charmeau-Genevois, F Bauer, F Sahigara, P Bicherel, ... Toxicology Letters 295, S99-S99, 2018 | | 2018 |
A simplified numerical scoring system to quantify skin and eye irritation/corrosion M PEREA, C CHARMEAU-GENEVOIS, F SAHIGARA, P THOMAS Toxicology Letters 295, S256-S257, 2018 | | 2018 |
Tools for prediction of environmental properties of chemiclas by QSAR/QSPR within reach. An applicability domain perspective F Sahigara Università degli Studi di Milano-Bicocca, 2013 | | 2013 |
High Accuracy QSARs for the prediction of acute and chronic aquatic toxicity P THOMAS, P BICHEREL, F SAHIGARA | | |
iSafeRat® HA-QSARs vs. commonly used predictive models: A statistical comparison F SAHIGARA, P BICHEREL, P THOMAS | | |
Shortcomings in ecotoxicity data to provide a testset for an ECETOC project P Thomas, F Sahigara, J Dawick, M Lampi, R van Egmond, MG Burgos | | |
A new model to perform high accuracy calculations of aquatic toxicity for mixtures. P BICHEREL, F SAHIGARA, P THOMAS | | |