Roberto Todeschini
Roberto Todeschini
UniversitÓ di Milano Bicocca - Full professor of chemometrics
Verified email at unimib.it - Homepage
TitleCited byYear
Handbook of molecular descriptors
R Todeschini, V Consonni
Wiley-VCH, pp. 668, 2000
4099*2000
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 (6), 453-463, 2005
12552005
Molecular descriptors for chemoinformatics. (2 volumes)
R Todeschini, V Consonni
Wiley-VCH, pp. 1257, 2009
1233*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
5952014
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
4482002
New molecular descriptors for 2D and 3D structures. Theory
R Todeschini, M Lasagni, E Marengo
Journal of chemometrics 8 (4), 263-272, 1994
3211994
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
3152009
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
3122002
The data analysis handbook
IE Frank, R Todeschini
Elsevier, pp. 366, 1994
2971994
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variableá…
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
2732008
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
2262006
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R K÷rner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25 (6), 533-554, 2011
2122011
Evaluation of model predictive ability by external validation techniques
V Consonni, D Ballabio, R Todeschini
Journal of chemometrics 24 (3‐4), 194-201, 2010
2092010
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
2002012
SD‐modelling and prediction by WHIM descriptors. Part 5. Theory development and chemical meaning of WHIM descriptors
R Todeschini, P Gramatica
Quantitative Structure‐Activity Relationships 16 (2), 113-119, 1997
1911997
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids
G Bravi, E Gancia, P Mascagni, M Pegna, R Todeschini, A Zaliani
Journal of computer-aided molecular design 11 (1), 79-92, 1997
1691997
Detecting “bad” regression models: multicriteria fitness functions in regression analysis
R Todeschini, V Consonni, A Mauri, M Pavan
Analytica Chimica Acta 515 (1), 199-208, 2004
1662004
The K correlation index: theory development and its application in chemometrics
R Todeschini, V Consonni, A Maiocchi
Chemometrics and Intelligent Laboratory Systems 46 (1), 13-29, 1999
1521999
DRAGON-Software for the calculation of molecular descriptors
R Todeschini, V Consonni, A Mauri, M Pavan
Web version 3, 2004
1502004
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
1482010
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