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Roberto Todeschini
Roberto Todeschini
University of Milano-Bicocca - Honorary professor of chemometrics
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Handbook of molecular descriptors
R Todeschini, V Consonni
Wiley-VCH, pp. 668, 2000
5873*2000
Molecular descriptors for chemoinformatics. (2 volumes)
R Todeschini, V Consonni
Wiley-VCH, pp. 1257, 2009
2372*2009
QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...
Journal of medicinal chemistry 57 (12), 4977-5010, 2014
20382014
Virtual computational chemistry laboratory–design and description
IV Tetko, J Gasteiger, R Todeschini, A Mauri, D Livingstone, P Ertl, ...
Journal of computer-aided molecular design 19, 453-463, 2005
18142005
Dragon software: An easy approach to molecular descriptor calculations
A Mauri, V Consonni, M Pavan, R Todeschini
MATCH Commun. Math. Comput. Chem. 56 (2), 237-248, 2006
7242006
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25, 533-554, 2011
6512011
Comments on the definition of the Q2 parameter for QSAR validation
V Consonni, D Ballabio, R Todeschini
Journal of chemical information and modeling 49 (7), 1669-1678, 2009
6492009
Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 1. Theory of the novel 3D molecular descriptors
V Consonni, R Todeschini, M Pavan
Journal of chemical information and computer sciences 42 (3), 682-692, 2002
5842002
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
5252012
The data analysis handbook
IE Frank, R Todeschini
Elsevier, pp. 366, 1994
4881994
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable …
IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ...
Journal of chemical information and modeling 48 (9), 1733-1746, 2008
4592008
Evaluation of model predictive ability by external validation techniques
V Consonni, D Ballabio, R Todeschini
Journal of chemometrics 24 (3‐4), 194-201, 2010
4232010
New molecular descriptors for 2D and 3D structures. Theory
R Todeschini, M Lasagni, E Marengo
Journal of chemometrics 8 (4), 263-272, 1994
3921994
Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 2. Application of the novel 3D molecular descriptors to QSAR/QSPR studies
V Consonni, R Todeschini, M Pavan, P Gramatica
Journal of chemical information and computer sciences 42 (3), 693-705, 2002
3872002
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
3362016
Multivariate comparison of classification performance measures
D Ballabio, F Grisoni, R Todeschini
Chemometrics and Intelligent Laboratory Systems 174, 33-44, 2018
3202018
New local vertex invariants and molecular descriptors based on functions of the vertex degrees
R Todeschini, V Consonni
MATCH Commun. Math. Comput. Chem. 64 (2), 359-372, 2010
3002010
Quantitative structure–activity relationship models for ready biodegradability of chemicals
K Mansouri, T Ringsted, D Ballabio, R Todeschini, V Consonni
Journal of chemical information and modeling 53 (4), 867-878, 2013
2892013
Handbook of bibliometric indicators: Quantitative tools for studying and evaluating research
R Todeschini, A Baccini
Wiley-VCH, pp. 484, 2016
2832016
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...
Journal of chemical information and modeling 50 (12), 2094-2111, 2010
2732010
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