Roberto Todeschini

Roberto Todeschini's AcademicInfluence.com Rankings

Roberto Todeschini

Chemistry

#3728

World Rank

#4768

Historical Rank

Analytical Chemistry

#151

World Rank

#158

Historical Rank

chemistry Degrees

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Chemistry

Roberto Todeschini's Degrees

PhD Chemistry University of Milan

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Roberto Todeschini's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Handbook of Molecular Descriptors (2002) (3307)
Virtual Computational Chemistry Laboratory – Design and Description (2005) (1332)
QSAR modeling: where have you been? Where are you going to? (2014) (1232)
Molecular descriptors for chemoinformatics (2009) (942)
Molecular Descriptors for Chemoinformatics: Volume I: Alphabetical Listing / Volume II: Appendices, References (2009) (711)
Comments on the Definition of the Q2 Parameter for QSAR Validation (2009) (449)
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors (2002) (416)
DRAGON SOFTWARE: AN EASY APPROACH TO MOLECULAR DESCRIPTOR CALCULATIONS (2006) (399)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information (2011) (375)
Comparison of Different Approaches to Define the Applicability Domain of QSAR Models (2012) (349)
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection (2008) (329)
Evaluation of model predictive ability by external validation techniques (2010) (296)
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies (2002) (267)
New molecular descriptors for 2D and 3D structures. Theory (1994) (260)
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project (2016) (230)
The data analysis handbook (1994) (196)
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set (2010) (195)
Quantitative Structure-Activity Relationship Models for Ready Biodegradability of Chemicals (2013) (189)
The K correlation index: theory development and its application in chemometrics (1999) (168)
Multivariate comparison of classification performance measures (2017) (161)
Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets (2012) (160)
Detecting bad regression models: multicriteria fitness functions in regression analysis (2004) (158)
SD-modelling and Prediction by WHIM Descriptors. Part 5. Theory Development and Chemical Meaning of WHIM Descriptors (1997) (158)
New Local Vertex Invariants and Molecular Descriptors Based on Functions of the Vertex Degrees (2010) (148)
Handbook of Bibliometric Indicators: Quantitative Tools for Studying and Evaluating Research (2016) (144)
The BEAM-project: prediction and assessment of mixture toxicities in the aquatic environment (2003) (121)
Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons (1995) (108)
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids (1997) (106)
The Kohonen and CP-ANN toolbox: A collection of MATLAB modules for Self Organizing Maps and Counterpropagation Artificial Neural Networks (2009) (104)
Multivariate Classification for Qualitative Analysis (2009) (101)
A new algorithm for optimal, distance based, experimental design (1992) (98)
New 3D Molecular Descriptors: The WHIM theory and QSAR Applications (2002) (83)
New Spectral Indices for Molecule Description (2008) (81)
3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs) (1998) (81)
The WHIM Theory: New 3D-molecular descriptors for QSAR in environmental modelling (1997) (79)
3D‐modelling and Prediction by WHIM Descriptors. Part 6. Application of WHIM Descriptors in QSAR Studies (1997) (75)
Novel Molecular Descriptors Based on Functions of New Vertex Degrees (2010) (73)
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions (2013) (73)
Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models (2016) (69)
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (2020) (69)
Modeling and prediction by using WHIM descriptors in QSAR studies: Toxicity of heterogeneous chemicals on Daphnia magna (1996) (68)
QSAR study on the tropospheric degradation of organic compounds (1999) (64)
A novel variable reduction method adapted from space-filling designs (2014) (62)
Data correlation, number of significant principal components and shape of molecules. The K correlation index (1997) (61)
Lewis acid mediated aldol condensations using thioester silyl ketene acetals (1986) (57)
Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA-kNN Method (2014) (57)
Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection. (2013) (56)
MobyDigs: software for regression and classification models by genetic algorithms (2003) (53)
Chemometrics in QSAR (2009) (52)
In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9 (2016) (49)
Multicriteria Decision Making Methods (2009) (48)
Kohonen artificial neural networks as a tool for wavelength selection in multicomponent spectrofluorimetric PLS modelling: application to phenol, o-cresol, m-cresol and p-cresol mixtures (1999) (47)
Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors (1999) (46)
QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action. (2001) (44)
QSAR and chemometric approaches for setting water quality objectives for dangerous chemicals. (2001) (43)
The j-index: a new bibliometric index and multivariate comparisons between other common indices (2011) (41)
Descriptors from Molecular Geometry (2008) (41)
Sensitivity assessment of freshwater macroinvertebrates to pesticides using biological traits (2012) (40)
QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions? (2015) (40)
Submitochondrial particles as toxicity biosensors of chlorophenols (1995) (39)
3D-modelling and prediction by WHIM descriptors. Part 8. Toxicity and physico-chemical properties of environmental priority chemicals by 2D-TI and 3D-WHIM descriptors. (1997) (39)
CAIMAN (Classification and Influence Matrix Analysis) : A new approach to the classification based on leverage-scaled functions (2007) (37)
Modeling and prediction by using WHIM descriptors in QSAR studies: submitochondrial particles (SMP) as toxicity blosensors of chlorophenols (1996) (37)
Geographical classification of wine and olive oil by means of classification and influence matrix analysis (CAIMAN). (2006) (36)
Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity (2018) (36)
The chemical meaning of topological indices (1992) (36)
Study on anaerobic and aerobic degradation of different non-ionic surfactants. (2003) (35)
New indices for analysing partial ranking diagrams (2004) (32)
Chemometric optimization of the ruthenium carbonyl catalysed cyclization of 2-nitrostilbene to 2-phenylindole (1991) (31)
k-nearest neighbour method: The influence of data transformations and metrics (1989) (31)
Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling. (2012) (31)
Scientific data ranking methods : theory and applications (2008) (31)
N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers (2015) (30)
Resolution of mixtures of three nonsteroidal anti-inflammatory drugs by fluorescence using partial least squares multivariate calibration with previous wavelength selection by Kohonen artificial neural networks. (2000) (29)
A distance measure between models: a tool for similarity/diversity analysis of model populations (2004) (29)
Geographical identification of Chianti red wine based on ICP-MS element composition. (2020) (29)
Traditional versus WHIM molecular descriptors in QSAR approaches applied to fish toxicity studies. (2001) (29)
New Similarity Coefficients for Binary Data (2012) (28)
Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study (2014) (28)
A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas). (2015) (28)
Integrated QSAR Models to Predict Acute Oral Systemic Toxicity (2018) (28)
Rabbit nest construction and its relationship with litter development (1991) (28)
Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications. (2009) (27)
Investigating the mechanisms of bioconcentration through QSAR classification trees. (2016) (27)
Molecular Descriptors for Structure-Activity Applications: A Hands-On Approach. (2018) (26)
A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas) (2015) (26)
Quantitative structure–activity relationships to predict sweet and non-sweet tastes (2016) (26)
A new concept of higher-order similarity and the role of distance/similarity measures in local classification methods (2016) (25)
Distances and Other Dissimilarity Measures in Chemometrics (2015) (25)
THEORETICAL-STUDIES OF STEREOSELECTIVE ALDOL CONDENSATIONS (1986) (25)
Steric Control of Conductivity in Highly Conjugated Polythiophenes (2001) (25)
Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective. (2014) (24)
Characterization of the traditional Cypriot spirit Zivania by means of Counterpropagation Artificial Neural Networks (2007) (23)
A QSTR-Based Expert System to Predict Sweetness of Molecules (2017) (23)
Qualitative consensus of QSAR ready biodegradability predictions (2016) (23)
A chemometric approach based on a novel similarity/diversity measure for the characterisation and selection of electronic nose sensors. (2006) (23)
K-CM: a new artificial neural network. Application to supervised pattern recognition (2014) (22)
Classification of multiway analytical data based on MOLMAP approach. (2007) (22)
On the Misleading Use of QF32 for QSAR Model Comparison (2018) (22)
Impact of Molecular Descriptors on Computational Models. (2018) (22)
Reshaped Sequential Replacement algorithm: an efficient approach to variable selection (2014) (21)
Application of the Kohonen artificial neural network in the identification of proteinaceous binders in samples of panel painting using gas chromatography-mass spectrometry. (2003) (21)
Virtual Computational Chemistry Laboratory (VCCLAB) (2006) (21)
Expert QSAR system for predicting the bioconcentration factor under the REACH regulation. (2016) (20)
ehp CERAPP : Collaborative Estrogen Receptor Activity Prediction Project (2016) (20)
Modeling and prediction of molecular properties. Theory of grid-weighted holistic invariant molecular (G-WHIM) descriptors (1997) (19)
Weighted k-Nearest Neighbour Method for the Calculation of Missing Values (1990) (19)
The combustion of municipal solid wastes and PCDD and PCDF emissions. Part 1. PCDD and PCDF in MSW (1989) (19)
CATMoS: Collaborative Acute Toxicity Modeling Suite (2021) (18)
Weighted power–weakness ratio for multi-criteria decision making (2015) (18)
Linear discriminant classification tree: A user-driven multicriteria classification method (1992) (18)
Chapter 2 Total-Order Ranking Methods (2008) (18)
Stereoselective aldol condensations via alkenyloxy dialkoxyboranes : mechanistic and stereochemical details (1984) (18)
Molecular Descriptors for Chemoinformatics. Vol. 1. Alphabetical Listing; Vol. 2. Appendices, References (2009) (18)
A fast method for the calculation of partial least squares coefficients (1991) (18)
Matrix‐based Molecular Descriptors for Prospective Virtual Compound Screening (2017) (17)
Introduction to MOLE DB - on-line Molecular Descriptors Database (2009) (17)
Reshaped Sequential Replacement for variable selection in QSPR: comparison with other reference methods (2014) (17)
Total ranking models by the genetic algorithm variable subset selection (GA–VSS) approach for environmental priority settings (2004) (16)
Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: a novel method for classification of petroleum products. (2012) (15)
Molecular conformation of cyclenes: Part VI. MINDO/2' study of 1,3-cycloheptadiene, cis- and trans-cyclooctene (1977) (15)
How to weight Hasse matrices and reduce incomparabilities (2015) (14)
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists (1994) (14)
3D-Modelling and Prediction by Whim Descriptors. Part 7. Physico-Chemical Properties of Haloaromatics: Comparison Between Whim and Topological Descriptors (1997) (14)
Pharmacophore identification in amnesia-reversal compounds using conformational analysis and chemometric methods (1990) (14)
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors (1992) (13)
The combustion of municipal solid wastes: PCDD and PCDF in MSW and in emissions. A chemometric approach (1989) (13)
Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data Part 2. Variable reduction. (2009) (12)
Geometry and energy of overcrowded ethylenes. II. Bornanylidene, fenchylidene, and bifluorenylidene derivatives (1982) (12)
Structure-Activity Relationships by autocorrelation descriptors and genetic algorithms (2011) (12)
A MATLAB toolbox for multivariate regression coupled with variable selection (2021) (12)
Impact on Survival of Timing and Duration of Adjuvant Chemotherapy in Radically Resected Gastric Cancer (2016) (11)
Hydroxylamine-induced cleavage of the asparaginyl-glycine motif in the production of recombinant proteins: the case of insulin-like growth factor I. (1997) (11)
PCDD and PCDF in emissions from the combustion of MSW in a pilot plant. Preliminary results (1989) (11)
Self organizing maps for analysis of polycyclic aromatic hydrocarbons 3-way data from spilled oils. (2010) (10)
Response surface models for the formation of PCDD and PCDF in a pilot plant combustion of MSW. (1990) (10)
Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems (2016) (10)
Toward an in vitro test for the diagnosis of allergy to penicillins. Synthesis, characterization, and use of beta-lactam and beta-lactam metabolite poly-L-lysines which recognize human IgE antibodies. (1999) (10)
A combined use of global and local approaches in 3D-QSAR (2000) (10)
Recent Advances in High-Level Fusion Methods to Classify Multiple Analytical Chemical Data (2019) (10)
On the Misleading Use of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msubsup><mml:mi>Q</mml:mi> <mml:mrow><mml:mi>F</mml:mi> <mml:mn>3</mml:mn></mml:mrow> <mml:mn>2</mml:mn></mml:msubsup> </mml:math> for QSAR Model Comparison. (2019) (9)
Data mining by total ranking methods: a case study on optimisation of the "pulp and bleaching" process in the paper industry. (2006) (9)
Determination of platinum in plasma of patients affected by inoperable lung carcinoma treated with radiotherapy and concurrent low-dose continuous infusion ofcis-dichlorodiammine platinum(II) (2004) (9)
Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering (2006) (9)
Multivariate Analysis of Molecular Descriptors (2012) (9)
The molecular structure of vinyl azide (1978) (9)
Peptides multivariate characterisation using a molecular descriptor based approach (2008) (8)
Conformation of bicyclo[n.1.0] derivatives: Part 2. Norcarane and cyclohexene epoxide (1982) (8)
New QSAR Modelling Approach Based on Ranking Models by Genetic Algorithms - Variable Subset Selection (GA-VSS) (2006) (8)
A theoretical conformational study of push–pull ethylenes. Part 1. Substituted methyleneimidazolidines (1985) (8)
Linear discriminant hierarchical clustering: A modeling and cross-validable divisive clustering method (1993) (8)
Hybrid toxicology expert system: architecture and implementation of a multi-domain hybrid expert system for toxicology (1998) (8)
Conformational analysis of polysubstituted ethanes (1981) (8)
Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 3. Variable selection in classification. (2010) (8)
Conformation of bicyclo[n.1.0]-compounds: Part I. Bicyclo[5.1.0] octane and cycloheptene epoxide (1980) (7)
Application of the Weighted Power-Weakness Ratio (wPWR) as a Fusion Rule in Ligand–Based Virtual Screening (2016) (7)
Predicting molecular activity on nuclear receptors by multitask neural networks (2020) (7)
Theoretical Studies of Stereoselective Aldol Condensations. (1986) (7)
Empirical force field calculations for bridged annulenes (1981) (7)
Phase II study of eribulin in combination with gemcitabine for the treatment of patients with locally advanced or metastatic triple negative breast cancer (ERIGE trial). Clinical and pharmacogenetic results on behalf of the Gruppo Oncologico Italiano di Ricerca Clinica (GOIRC). (2019) (7)
Conformation of bicyclo [n.1.0] Derivatives: Part 3. Dioxa- and trioxa-bicyclo[5.1.0] octanes (1982) (7)
CONFORMATIONAL ANALYSIS OF TRIMETHYLPHOSPHITE AND ITS METAL COMPLEXES (1983) (6)
Experimental and Theoretical Studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO) (2014) (6)
QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS (2014) (6)
Principal Component Analysis to interpret changes in chromatic parameters on paint dosimeters exposed long-term to urban air (2017) (6)
Dairy cream response in instrumental texture evaluation processed by multivariate analysis (2009) (6)
Useful and unuseful summaries of regression models (2010) (6)
Chemometrics for QSAR Modeling (2020) (5)
Deep Ranking Analysis by Power Eigenvectors (DRAPE): A wizard for ranking and multi-criteria decision making (2019) (5)
Chapter 9 The DART (Decision Analysis by Ranking Techniques) Software (2008) (5)
Partial Ranking Models by Genetic Algorithms Variable Subset Selection (GA-VSS) approach for environmental priority settings (2005) (5)
The data analysis handbook: Ildiko E. Frank and Roberto Todeschini (1994) (5)
Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methods (1991) (4)
Molecular structure of strained polycyclic hydrocarbons. A MINDO/3 study of some bicyclo- and tricyclo-derivatives (1979) (4)
Classification-based QSAR Models for the Prediction of the Bioactivity of ACE-inhibitor Peptides. (2018) (4)
Empirical force field calculations for bridged annulenes. II. 1,6‐ethano‐8,13‐methano‐ and 1,6:7,12‐bismethano‐‖14‖annulenes (1983) (4)
A chemometric approach for evaluating the efficiency of a pilot plant for MSW combustion (1991) (4)
Scientific data ranking methods (2009) (3)
A New Similarity/Diversity Measure for the Characterization of DNA Sequences (2008) (3)
1.1.QSAR identifier (title): QSARINS model for hydroxyl–mediated tropospheric degradation using DRAGON descriptors 1.2.Other related models: 1.3.Software coding the model: [1]DRAGON Software for the calculation of molecular descriptors, ver.5.5 for Windows,2007 (2016) (3)
Conformation of bicyclo[n.1.0] derivatives: Part 4. bicycloalkenes and bicyclic methylenecyclopropanes (1982) (3)
Abstracts of the 6th FECS Conference 1998 Lectures (1998) (3)
Molecular descriptors and chemometrics : A powerful combined tool for pharmaceutical, toxicological and environmental problems (2006) (3)
Dialysis and the Immune System1 (1995) (3)
Parsimonious Optimization of Multitask Neural Network Hyperparameters (2021) (3)
Data Analysis in Chemistry and Bio-Medical Sciences (2016) (3)
GETAWAY Descriptors: New Molecular Descriptors Combining Geometrical, Topological and Chemical Information for Physico-Chemical Properties Modelling and Drug Design (2001) (3)
CONFORMATION OF BICYCLO(N.1.0) COMPOUNDS. PART I. BICYCLO(5.1.0)OCTANE AND CYCLOHEPTENE EPOXIDE (1980) (3)
STUDY OF THE POP ATMOSPHERIC MOBILITY BY QSAR APPROACH (1999) (2)
Deep Ranking Analysis by Power Eigenvectors (DRAPE): A polypharmacology case study (2020) (2)
Chemometric approaches in environmental problems concerning PCDD and PCDF. Data interpretation and source correlation. Mechanisms of formation and destruction in MSW combustion process (1994) (2)
Activity Cliffs and Structural Cliffs for Categorical Responses (2018) (2)
Methodologies for the identification of the pharmacophore in series of bioactive compounds (1991) (2)
Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering. (2006) (2)
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite (2021) (2)
3D QSAR The Integration of QSAR with Molecular Modeling (1994) (1)
Chemometrics for Sampling and Analysis: Theory and Environmental Applications (2000) (1)
Conformation of bicyclo [n.1.0] derivatives: Part V. Bicyclo[5.1.01]- and 8-oxa-bicyclo[5.1.0] octenes (1983) (1)
Electro-optical properties of the oxirane skeleton and the carbon–carbon bond in its derivatives (1981) (1)
Factors affecting cytochrome P-450 and horseradish peroxidase-catalyzed oxidative N-dealkylation of aromatic tertiary amines. A multivariate approach (1993) (1)
EMPIRICAL FORCE-FIELD CALCULATIONS FOR BRIDGED ANNULENES. II. 1,6-ETHANO-8,13-METHANO- AND 1,6:7,12-BISMETHANO(14)ANNULENES (1983) (1)
The conformation of 1-vinylcyclohexene (1983) (1)
QSAR models for bioconcentration: is the increase in the complexity balanced by better predictions? (2014) (1)
Deep Ranking Analysis by Power Eigenvectors (DRAPE): A Study on the Human, Environmental and Economic Wellbeing of 154 Countries (2021) (1)
A comparative study on different methods for applicability domain assessment (2013) (1)
Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity‐rich structural regions (2018) (1)
Comparison of approaches to define Applicability Domain for the application of QSAR models (2011) (1)
Application of chemometrics in the field of animal sciences. 1: Data exploration and regression analysis (1997) (1)
Similarity/Diversity Indices on Incidence Matrices Containing Missing Values (2019) (1)
A new similarity/diversity measure for sequential data (2007) (1)
Multivariate Classifi cation for Qualitative Analysis (2008) (1)
QSARINS model 2 for log Koc (2019) (1)
Publisher Correction: Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity (2018) (1)
Reshaped sequential replacement algorithm (RSR) for variable selection (2013) (1)
Abstract OT3-02-05: Phase II study of eribulin in combination with gemcitabine for the treatment of patients with locally advanced or metastatic triple negative breast cancer. ERIGE Trial on behalf of the Gruppo Oncologico Italiano di Ricerca Clinica (GOIRC) (2016) (0)
Foreword By Roberto Todeschini (2012) (0)
CONFORMATION OF BICYCLO(N.1.0) DERIVATIVES. PART 4. BICYCLOALKENES AND BICYCLIC METHYLENECYCLOPROPANES (1983) (0)
CONFORMATION OF BICYCLO(N1.0)DERIVATIVES. PART 2. NORCARANE AND CYCLOHEXENE EPOXIDE (1981) (0)
Regulatory assessment of aquatic bioaccumulation: a contribution from QSAR and chemometrics. (2017) (0)
VARIABLE SELECTION BY THE LASSO METHOD (2012) (0)
A new distance measure for QSAR (2011) (0)
Appendix B. Symbols of Molecular Descriptors (2008) (0)
A THEORETICAL CONFORMATIONAL STUDY OF PUSH‐PULL ETHYLENES. PART 1. SUBSTITUTED METHYLENEIMIDAZOLIDINES (1985) (0)
Principal component analysis of chromatic parameters measured on atmospheric aged paint dosimeters (2016) (0)
A QSAR model for acute aquatic toxicity towards daphnia magna. In Abstract book of the International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR2014) (2014) (0)
A New Measure of Compound Similarity/Diversity (2011) (0)
Recent advances in consensus modelling of multiple analytical chemical data (2015) (0)
Multivariate classification of Chianti red wines based on massive sampling and ICP-MS element composition (2018) (0)
Collaborative QSAR analysis of Ames mutagenicity (2011) (0)
A Chemometric Approach: Quality Assessment for Foodstuffs Using High-Data Fusion Methods (2016) (0)
Chemometrics and Intelligent Laboratory Systems (2015) (0)
Classification Parameters: an Extended Multivariate Comparison (2016) (0)
Deep Ranking Analysis by Kendall Eigenvectors (DRAKE): A Wizard for Ranking and Multi-Criteria Decision Making (2019) (0)
Nuclear receptor modulators: Catching information by machine learning (2021) (0)
Exploiting the potential of molecular descriptors through data-fusion strategies: A case study on Cytochrome P450 (2016) (0)
Appendix C. Molecular structures (2009) (0)
Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data (2022) (0)
INVESTIGATING SAR LANDSCAPES (2013) (0)
L5 QSAR/QSPR: principles and fundamentals from a chemometric perspective (2010) (0)
MOLECULAR CONFORMATION OF CYCLENES. PART VI. MINDO 2′ STUDY OF 1,3-CYCLOHEPTADIENE, CIS- AND TRANS-CYCLOOCTENE (1978) (0)
K-contractive map (k-cm) for classification (2013) (0)
RECENT ADVANCEMENTS TO DEFINE THE APPLICABILITY DOMAIN OF QSAR MODELS (2012) (0)
Structure-activity relationships of non-peptide Angiotensin II antagonists (1993) (0)
A New Measure of Compund Similarity/Diversity (2011) (0)
Integration of QSAR ready biodegradability predictions by means of qualitative consensus (2016) (0)
Reality and Models. Concepts, strategies and tools for QSAR (2004) (0)
New molecular descriptors for estimating degradation and environmental fate of organic pollutants by QSAR/QSPR models within REACH. (2013) (0)
Lewis Acid Mediated Aldol Condensations Using Thioester Silyl Ketene Acetals. (1986) (0)
Data Fusion Strategies for Enhancing Classification Performance: a Case Study on Cytochrome P450 (2016) (0)
Three‐dimensional chemical similarity searching, Catherine Pepperrell, Research Studies Press, Taunton, 1994, ISBN 086380 145 5, Wiley, Chichester, 1994, 304 pp., price £57.50 (1995) (0)
STEREOSELECTIVE ALDOL CONDENSATIONS VIA ALKENYLOXY DIALKOXYBORANES: MECHANISTIC AND STEREOCHEMICAL DETAILS (1985) (0)
Data for: Deep Ranking Analysis by Power Eigenvectors (DRAPE): a polypharmacology case study (2020) (0)
QSARINS model for hydroxyl–mediated tropospheric degradation using DRAGON descriptors (2019) (0)
Understanding the molecular bases of Cathodic Stripping Voltammetry: a novel QSPR strategy (2008) (0)
Crystal, molecular, and electronic structure of 13,13-difluoro-1,7-methano[12]annulene (1983) (0)
New technologies for environmental problems: chemometric methods as informatic strategies towards the solution of high complexity problems. (1991) (0)
Optimisation of counter-propagation artificial neural networks by means of genetic algorithms (2010) (0)
A New Molecular Structure Representation: Spectral Weighted Molecular (SWM) Signals for Studies of Molecular Similarity (1999) (0)
CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF 13,13-DIFLUORO-1,7-METHANO(12)ANNULENE (1983) (0)
High-Level Fusion Methods to Classify Samples Associated to Multiple Analytical Source (2016) (0)
Molecular modeling of non-peptide angiotensin II receptor antagonists (1991) (0)
Editorial of the “V Colloquium Chemiometricum Mediteraneum” (2004) (0)
A novel unsupervised method for reducing the dimensionality of large QSAR datasets (2014) (0)
Environmental chemoinformatics for REACH (2011) (0)
Local models for the prediction of acute toxicity to Daphnia magna (2012) (0)
Greek Alphabet Entries (2008) (0)
Identification of Photodegradation Products of Escitalopram in Surface Water by HPLC-MS/MS and Preliminary Characterization of Their Potential Impact on the Environment (2022) (0)
Multimedia Modelling of air-sea exchange (1997) (0)
Preliminary studies of ultraviolet radiation over time in paint mock-ups (2016) (0)
A NEW MOLECULAR STRUCTURE REPRESENTATION: SPECTRAL WEIGHTED MOLECULAR (SWM) SIGNALS AND SPECTRAL WEIGHTED INVARIANT MOLECULAR (SWIM) DESCRIPTORS (2000) (0)
Appendix C. Software (2008) (0)
Trait-based sensitivity assessment of specific toxicants: getting deeper into specific traits (2011) (0)
Milk quality evaluation. A chemometric approach (1989) (0)
Autobiography of Roberto Todeschini (2017) (0)
Conformational studies of octalene and its benzo‐derivatives (1984) (0)
Consensus Prediction of Androgen Receptor Activity within the CoMPARA Project (2019) (0)
Impact of UV radiation and urban atmospherics aerosols in paint dosimeters using Micro-Raman and Principal Component Analysis (2016) (0)
Data integration to increase quality and reliability of QSAR predictions. (2017) (0)
Mapping of dairy cream shelf-life by means of mechanical measurements combined with multivariate analysis (2007) (0)
QSAR models to predict properties of dyes for regulatory use (2018) (0)
A (Q)SAR study on ready biodegradability (2012) (0)
Enhancing Chemical Information in QSAR: Generalized Graph-Theoretical Matrices (2010) (0)
MOLECULAR STRUCTURE OF STRAINED POLYCYCLIC HYDROCARBONS. A MINDO/3 STUDY OF SOME BICYCLO AND TRICYCLO DERIVATIVES (1979) (0)
Molecular descriptors and chemical information: an overview (2010) (0)
School of Chemometrics, Cuenca, Ecuador, 8–12 May 1989 (1989) (0)
CONFORMATION OF BICYCLO(N.1.0)DERIVATIVES. PART 3. DIOXA- AND TRIOXABICYCLO(5.1.0)OCTANES (1982) (0)
A new procedure for the visual inspection of multivariate data of different geographic origins (1991) (0)
Geographical Characterization of Olive Oil by Means of Multivariate Classification: Application of CAIMAN (2010) (0)
Chemometric Optimization of the Ruthenium Carbonyl Catalysed Cyclization of 2‐Nitrostilbene to 2‐Phenylindole. (1991) (0)
Molecular Descriptors and Chemometrics (2006) (0)
3D-molecular descriptors: the WHIM approach to the similarity analysis. (1996) (0)
Steric effects in polybitniophenes (1994) (0)
Evaluation of classification performances of minimum spanning trees by 13 different metrics (2021) (0)
Chemometrics and QSAR: fundamentals and perspectives (2014) (0)
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite (2021) (0)
Detecting activity-rich structural regions by a new chemoinformatic approach: Mapping of Activity through Dichotomic Scores (MADS) (2018) (0)
Appendix A. The Greek Alphabet (2008) (0)
Modelling of the Phyisico-Chemical Properties of HCFCs whith WHIM Molecular Descriptors: Rate Constant of the Reaction of OH Radical with Hydrohaloalkanes (1996) (0)

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What Schools Are Affiliated With Roberto Todeschini?

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