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  1. Classification-based QSAR Models for the Prediction of the Bioactivity of ACE-inhibitor Peptides

    Article • Protein and Peptide Letters, December 2018, Bentham Science Publishers

    Honorary Professor Roberto Todeschini, Piercosimo Tripaldi, ANDRES PEREZ

  2. On the Misleading Use of QF32 for QSAR Model Comparison

    Article • Molecular Informatics, August 2018, Wiley

    Honorary Professor Roberto Todeschini

  3. Multivariate comparison of classification performance measures

    Article • Chemometrics and Intelligent Laboratory Systems, March 2018, Elsevier

    Honorary Professor Roberto Todeschini

  4. Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity-rich structural regions

    Article • Journal of Chemometrics, January 2018, Wiley

    Honorary Professor Roberto Todeschini

  5. Principal Component Analysis to interpret changes in chromatic parameters on paint dosimeters exposed long-term to urban air

    Article • Chemometrics and Intelligent Laboratory Systems, August 2017, Elsevier

    Honorary Professor Roberto Todeschini

  6. A QSTR-Based Expert System to Predict Sweetness of Molecules

    Article • Frontiers in Chemistry, July 2017, Frontiers

    Honorary Professor Roberto Todeschini

  7. Data Analysis in Chemistry and Bio-Medical Sciences

    Article • International Journal of Molecular Sciences, December 2016, MDPI AG

    Honorary Professor Roberto Todeschini

  8. Qualitative consensus of QSAR ready biodegradability predictions

    Article • Toxicological and Environmental Chemistry, December 2016, Taylor & Francis

    Honorary Professor Roberto Todeschini

  9. Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models

    Article • Journal of Chemical Information and Modeling, September 2016, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  10. Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems

    Article • Journal of Cheminformatics, September 2016, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  11. Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening

    Article • Molecular Informatics, September 2016, Wiley

    Honorary Professor Roberto Todeschini

  12. Expert QSAR system for predicting the bioconcentration factor under the REACH regulation

    Article • Environmental Research, July 2016, Elsevier

    Honorary Professor Roberto Todeschini

  13. In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9

    Article • International Journal of Molecular Sciences, June 2016, MDPI AG

    Honorary Professor Roberto Todeschini

  14. A new concept of higher-order similarity and the role of distance/similarity measures in local classification methods

    Article • Chemometrics and Intelligent Laboratory Systems, June 2016, Elsevier

    Honorary Professor Roberto Todeschini

  15. Investigating the mechanisms of bioconcentration through QSAR classification trees

    Article • Environment International, March 2016, Elsevier

    Honorary Professor Roberto Todeschini

  16. Quantitative structure–activity relationships to predict sweet and non-sweet tastes

    Article • Theoretical Chemistry Accounts, February 2016, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  17. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

    Article • Environmental Health Perspectives, February 2016, Environmental Health Perspectives

    Dr kamel mansouri, Honorary Professor Roberto Todeschini, Jayaram Kancherla, Dr Antony John Williams

  18. N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers

    Article • Journal of Chemical Information and Modeling, November 2015, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  19. How to weight Hasse matrices and reduce incomparabilities

    Article • Chemometrics and Intelligent Laboratory Systems, October 2015, Elsevier

    Honorary Professor Roberto Todeschini

  20. Weighted power–weakness ratio for multi-criteria decision making

    Article • Chemometrics and Intelligent Laboratory Systems, August 2015, Elsevier

    Honorary Professor Roberto Todeschini

  21. QSAR models for bioconcentration: Is the increase in the complexity justified by more accurate predictions?

    Article • Chemosphere, May 2015, Elsevier

    Honorary Professor Roberto Todeschini

  22. A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas)

    Article • SAR and QSAR in Environmental Research, March 2015, Taylor & Francis

    Honorary Professor Roberto Todeschini

  23. K-CM: A new artificial neural network. Application to supervised pattern recognition

    Article • Chemometrics and Intelligent Laboratory Systems, November 2014, Elsevier

    Honorary Professor Roberto Todeschini

  24. Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study

    Article • International Journal of Molecular Sciences, October 2014, MDPI AG

    Honorary Professor Roberto Todeschini

  25. A novel variable reduction method adapted from space-filling designs

    Article • Chemometrics and Intelligent Laboratory Systems, August 2014, Elsevier

    Honorary Professor Roberto Todeschini

  26. Assessing the Validity of QSARs for Ready Biodegradability of Chemicals: An Applicability Domain Perspective

    Article • Current Computer - Aided Drug Design, July 2014, Bentham Science Publishers

    Honorary Professor Roberto Todeschini

  27. QSAR Modeling: Where Have You Been? Where Are You Going To?

    Article • Journal of Medicinal Chemistry, June 2014, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  28. QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

    Article • Rubber Chemistry and Technology, June 2014, Rubber Division, ACS

    Honorary Professor Roberto Todeschini

  29. Reshaped Sequential Replacement algorithm: An efficient approach to variable selection

    Article • Chemometrics and Intelligent Laboratory Systems, April 2014, Elsevier

    Honorary Professor Roberto Todeschini

  30. Reshaped Sequential Replacement for variable selection in QSPR: comparison with other reference methods

    Article • Journal of Chemometrics, February 2014, Wiley

    Honorary Professor Roberto Todeschini

  31. Locally centred Mahalanobis distance: A new distance measure with salient features towards outlier detection

    Article • Analytica Chimica Acta, July 2013, Elsevier

    Honorary Professor Roberto Todeschini

  32. Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

    Article • Journal of Cheminformatics, May 2013, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  33. Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals

    Article • Journal of Chemical Information and Modeling, April 2013, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  34. Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets

    Article • Journal of Chemical Information and Modeling, November 2012, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  35. Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling

    Article • Chemosphere, October 2012, Elsevier

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  36. Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: A novel method for classification of petroleum products

    Article • Journal of Chromatography A, May 2012, Elsevier

    Honorary Professor Roberto Todeschini

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

    Article • Molecules, April 2012, MDPI AG

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  38. Multivariate Analysis of Molecular Descriptors

    Article • March 2012, Wiley

    Honorary Professor Roberto Todeschini

  39. Sensitivity assessment of freshwater macroinvertebrates to pesticides using biological traits

    Article • Ecotoxicology, October 2011, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  40. The OCHEM web-based platform for data modeling/QSAR prediction

    Article • Journal of Computer-Aided Molecular Design, June 2011, Springer Science + Business Media

    Dr Antony John Williams, Valery Tkachenko, Honorary Professor Roberto Todeschini, Dr. Matthias Rupp

  41. The j-index: a new bibliometric index and multivariate comparisons between other common indices

    Article • Scientometrics, March 2011, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  42. Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

    Article • Journal of Cheminformatics, January 2011, Springer Science + Business Media

    Dr Antony John Williams, Honorary Professor Roberto Todeschini

  43. Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

    Article • Journal of Chemical Information and Modeling, December 2010, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  44. Self Organizing Maps for Analysis of Polycyclic Aromatic Hydrocarbons 3-Way Data from Spilled Oils

    Article • Analytical Chemistry, May 2010, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  45. Evaluation of model predictive ability by external validation techniques

    Article • Journal of Chemometrics, February 2010, Wiley

    Honorary Professor Roberto Todeschini

  46. Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 3. Variable selection in classification

    Article • Analytica Chimica Acta, January 2010, Elsevier

    Honorary Professor Roberto Todeschini

  47. Geographical Characterization of Olive Oil by Means of Multivariate Classification

    Article • January 2010, Elsevier

    Honorary Professor Roberto Todeschini

  48. Molecular Descriptors

    Article • October 2009, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  49. The Kohonen and CP-ANN toolbox: A collection of MATLAB modules for Self Organizing Maps and Counterpropagation Artificial Neural Networks

    Article • Chemometrics and Intelligent Laboratory Systems, October 2009, Elsevier

    Honorary Professor Roberto Todeschini

  50. Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications

    Article • Analytica Chimica Acta, August 2009, Elsevier

    Honorary Professor Roberto Todeschini

  51. Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data

    Article • Analytica Chimica Acta, August 2009, Elsevier

    Honorary Professor Roberto Todeschini

  52. Comments on the Definition of the Q 2 Parameter for QSAR Validation

    Article • Journal of Chemical Information and Modeling, July 2009, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  53. Molecular Descriptors for Chemoinformatics

    Article • July 2009, Wiley

    Honorary Professor Roberto Todeschini

  54. Dairy cream response in instrumental texture evaluation processed by multivariate analysis

    Article • Chemometrics and Intelligent Laboratory Systems, April 2009, Elsevier

    Honorary Professor Roberto Todeschini

  55. Multivariate Classification for Qualitative Analysis

    Article • January 2009, Elsevier

    Honorary Professor Roberto Todeschini

  56. Multicriteria Decision-Making Methods

    Article • January 2009, Elsevier

    Honorary Professor Roberto Todeschini

  57. Chemometrics in QSAR

    Article • January 2009, Elsevier

    Honorary Professor Roberto Todeschini

  58. Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection

    Article • Journal of Chemical Information and Modeling, September 2008, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  59. Descriptors from Molecular Geometry

    Article • May 2008, Wiley

    Honorary Professor Roberto Todeschini

  60. Preface

    Article • January 2008, Elsevier

    Honorary Professor Roberto Todeschini

  61. Chapter 2 Total-Order Ranking Methods

    Article • January 2008, Elsevier

    Honorary Professor Roberto Todeschini

  62. Chapter 9 The DART (Decision Analysis by Ranking Techniques) Software

    Article • January 2008, Elsevier

    Honorary Professor Roberto Todeschini

  63. Classification of multiway analytical data based on MOLMAP approach

    Article • Analytica Chimica Acta, December 2007, Elsevier

    Honorary Professor Roberto Todeschini

  64. Characterization of the traditional Cypriot spirit Zivania by means of Counterpropagation Artificial Neural Networks

    Article • Chemometrics and Intelligent Laboratory Systems, May 2007, Elsevier

    Honorary Professor Roberto Todeschini

  65. CAIMAN (Classification And Influence Matrix Analysis): A new approach to the classification based on leverage-scaled functions

    Article • Chemometrics and Intelligent Laboratory Systems, May 2007, Elsevier

    Honorary Professor Roberto Todeschini

  66. Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering

    Article • Journal of Chemical Information and Modeling, September 2006, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  67. A chemometric approach based on a novel similarity/diversity measure for the characterisation and selection of electronic nose sensors

    Article • Analytica Chimica Acta, September 2006, Elsevier

    Honorary Professor Roberto Todeschini

  68. Geographical classification of wine and olive oil by means of classification and influence matrix analysis (CAIMAN)

    Article • Analytica Chimica Acta, June 2006, Elsevier

    Honorary Professor Roberto Todeschini

  69. Data Mining by Total Ranking Methods: A Case Study on Optimisation of the “Pulp and Bleaching” Process in the Paper Industry

    Article • Annali di Chimica, January 2006, Wiley

    Honorary Professor Roberto Todeschini

  70. Virtual Computational Chemistry Laboratory – Design and Description

    Article • Journal of Computer-Aided Molecular Design, June 2005, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  71. Total ranking models by the genetic algorithm variable subset selection (GA?VSS) approach for environmental priority settings

    Article • Fresenius Journal of Analytical Chemistry, September 2004, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  72. New indices for analysing partial ranking diagrams

    Article • Analytica Chimica Acta, July 2004, Elsevier

    Honorary Professor Roberto Todeschini

  73. Editorial of the “V Colloquium Chemiometricum Mediteraneum”

    Article • Analytica Chimica Acta, July 2004, Elsevier

    Honorary Professor Roberto Todeschini

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

    Article • Analytica Chimica Acta, July 2004, Elsevier

    Honorary Professor Roberto Todeschini

  75. A distance measure between models: a tool for similarity/diversity analysis of model populations

    Article • Chemometrics and Intelligent Laboratory Systems, January 2004, Elsevier

    Honorary Professor Roberto Todeschini

  76. The BEAM-project: prediction and assessment of mixture toxicities in the aquatic environment

    Article • Continental Shelf Research, November 2003, Elsevier

    Honorary Professor Roberto Todeschini

  77. Study on anaerobic and aerobic degradation of different non-ionic surfactants

    Article • Bioresource Technology, March 2003, Elsevier

    Honorary Professor Roberto Todeschini

  78. Application of the Kohonen artificial neural network in the identification of proteinaceous binders in samples of panel painting using gas chromatography-mass spectrometry

    Article • The Analyst, February 2003, Royal Society of Chemistry

    Honorary Professor Roberto Todeschini

  79. MobyDigs: software for regression and classification models by genetic algorithms

    Article • January 2003, Elsevier

    Honorary Professor Roberto Todeschini

  80. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies

    Article • Journal of Chemical Information and Modeling, May 2002, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  81. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors

    Article • Journal of Chemical Information and Modeling, May 2002, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  82. Traditional versus WHIM molecular descriptors in QSAR approaches applied to fish toxicity studies

    Article • Chemosphere, July 2001, Elsevier

    Honorary Professor Roberto Todeschini

  83. QSAR and Chemometric Approaches for Setting Water Quality Objectives for Dangerous Chemicals

    Article • Ecotoxicology and Environmental Safety, July 2001, Elsevier

    Honorary Professor Roberto Todeschini

  84. Handbook of Molecular Descriptors. Methods and Principles in Medicinal Chemistry Series. Volume 11 By Roberto Todeschini and Viviana Consonni (Universita degli Studi di Milano-Bicocca). Edited by R. Mannold, H. Kubinyi, and H. Timmerman. Wiley-VCH:  We...

    Article • Journal of the American Chemical Society, June 2001, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  85. Steric Control of Conductivity in Highly Conjugated Polythiophenes

    Article • Chemistry of Materials, May 2001, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  86. QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action

    Article • Chemosphere, March 2001, Elsevier

    Honorary Professor Roberto Todeschini

  87. 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

    Article • Talanta, September 2000, Elsevier

    Honorary Professor Roberto Todeschini

  88. A combined use of global and local approaches in 3D-QSAR

    Article • Chemometrics and Intelligent Laboratory Systems, September 2000, Elsevier

    Honorary Professor Roberto Todeschini

  89. QSAR Approach for the Selection of Congeneric Compounds with Similar Toxicological Modes of Action

    Article • January 2000, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  90. A New Molecular Structure Representation: Spectral Weighted Molecular (SWM) Signals and Spectral Weighted Invariant Molecular (SWIM) Descriptors

    Article • January 2000, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  91. Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors

    Article • TrAC Trends in Analytical Chemistry, July 1999, Elsevier

    Honorary Professor Roberto Todeschini

  92. Toward an in Vitro Test for the Diagnosis of Allergy to Penicillins. Synthesis, Characterization, and Use of β-Lactam and β-Lactam Metabolite Poly- l -lysines Which Recognize Human IgE Antibodies

    Article • Bioconjugate Chemistry, May 1999, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  93. QSAR study on the tropospheric degradation of organic compounds

    Article • Chemosphere, March 1999, Elsevier

    Honorary Professor Roberto Todeschini

  94. The K correlation index: theory development and its application in chemometrics

    Article • Chemometrics and Intelligent Laboratory Systems, February 1999, Elsevier

    Honorary Professor Roberto Todeschini

  95. 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

    Article • TrAC Trends in Analytical Chemistry, February 1999, Elsevier

    Honorary Professor Roberto Todeschini

  96. Hybrid toxicology expert system: architecture and implementation of a multi-domain hybrid expert system for toxicology

    Article • Chemometrics and Intelligent Laboratory Systems, September 1998, Elsevier

    Honorary Professor Roberto Todeschini

  97. 3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs)

    Article • Chemometrics and Intelligent Laboratory Systems, May 1998, Elsevier

    Honorary Professor Roberto Todeschini

  98. Article • Perspectives in Drug Discovery and Design, January 1998, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  99. 30-Modelling and Prediction by WHIM Descriptors. Part 8. Toxicity and Physico-chemical Properties of Environmental Priority Chemicals by 2D-TI and 3D-WHIM Descriptors

    Article • SAR and QSAR in Environmental Research, December 1997, Taylor & Francis

    Honorary Professor Roberto Todeschini

  100. Hydroxylamine-Induced Cleavage of the Asparaginyl–Glycine Motif in the Production of Recombinant Proteins: The Case of Insulin-like Growth Factor I

    Article • Protein Expression and Purification, October 1997, Elsevier

    Honorary Professor Roberto Todeschini

  101. Data correlation, number of significant principal components and shape of molecules. The K correlation index

    Article • Analytica Chimica Acta, August 1997, Elsevier

    Honorary Professor Roberto Todeschini

  102. Modeling and prediction of molecular properties. Theory of grid-weighted holistic invariant molecular (G-WHIM) descriptors

    Article • Chemometrics and Intelligent Laboratory Systems, February 1997, Elsevier

    Honorary Professor Roberto Todeschini

  103. Article • Journal of Computer-Aided Molecular Design, January 1997, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  104. 3D-modelling and Prediction by WHIM Descriptors. Part 6. Application of WHIM Descriptors in QSAR Studies

    Article • QSAR & Combinatorial Science, January 1997, Wiley

    Honorary Professor Roberto Todeschini

  105. SD-modelling and Prediction by WHIM Descriptors. Part 5. Theory Development and Chemical Meaning of WHIM Descriptors

    Article • QSAR & Combinatorial Science, January 1997, Wiley

    Honorary Professor Roberto Todeschini

  106. Modeling and prediction by using WHIM descriptors in QSAR studies: submitochondrial particles (SMP) as toxicity blosensors of chlorophenols

    Article • Chemosphere, July 1996, Elsevier

    Honorary Professor Roberto Todeschini

  107. Data Analysis Handbook

    Article • Technometrics, May 1996, JSTOR

    Honorary Professor Roberto Todeschini

  108. Modeling and prediction by using whim descriptors in QSAR studies: toxicity of heterogeneous chemicals on Daphnia magna

    Article • Chemosphere, April 1996, Elsevier

    Honorary Professor Roberto Todeschini

  109. Submitochondrial particles as toxicity biosensors of chlorophenols

    Article • Environmental Toxicology and Chemistry, March 1995, Wiley

    Honorary Professor Roberto Todeschini

  110. Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons

    Article • Chemometrics and Intelligent Laboratory Systems, February 1995, Elsevier

    Honorary Professor Roberto Todeschini

  111. Preface

    Article • Chemometrics and Intelligent Laboratory Systems, February 1995, Elsevier

    Honorary Professor Roberto Todeschini

  112. Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons

    Article • Chemometrics and Intelligent Laboratory Systems, February 1995, Elsevier

    Honorary Professor Roberto Todeschini

  113. SUBMITOCHONDRIAL PARTICLES AS TOXICITY BIOSENSORS OF CHLOROPHENOLS

    Article • Environmental Toxicology and Chemistry, January 1995, Wiley

    Honorary Professor Roberto Todeschini

  114. 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)

    Article • Cancer Chemotherapy and Pharmacology, January 1995, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  115. 3D QSAR The Integration of QSAR with Molecular Modeling

    Article • November 1994, Wiley

    Honorary Professor Roberto Todeschini

  116. New molecular descriptors for 2D and 3D structures. Theory

    Article • Journal of Chemometrics, July 1994, Wiley

    Honorary Professor Roberto Todeschini

  117. A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists

    Article • Journal of Computer-Aided Molecular Design, April 1994, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  118. Chemometric approaches in environmental problems concerning PCDD and PCDF. Data interpretation and source correlation. Mechanisms of formation and destruction in MSW combustion process

    Article • January 1994, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  119. Factors affecting cytochrome P-450 and horseradish peroxidase-catalyzed oxidative N-dealkylation of aromatic tertiary amines. A multivariate approach

    Article • Journal of Molecular Catalysis, November 1993, Elsevier

    Honorary Professor Roberto Todeschini

  120. Linear discriminant hierarchical clustering: A modeling and cross-validable divisive clustering method

    Article • Chemometrics and Intelligent Laboratory Systems, May 1993, Elsevier

    Honorary Professor Roberto Todeschini

  121. Structure-activity relationships of non-peptide Angiotensin II antagonists

    Article • January 1993, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  122. Linear discriminant classification tree: A user-driven multicriteria classification method

    Article • Chemometrics and Intelligent Laboratory Systems, September 1992, Elsevier

    Honorary Professor Roberto Todeschini

  123. A new algorithm for optimal, distance-based experimental design

    Article • Chemometrics and Intelligent Laboratory Systems, September 1992, Elsevier

    Honorary Professor Roberto Todeschini

  124. The chemical meaning of topological indices

    Article • Chemometrics and Intelligent Laboratory Systems, May 1992, Elsevier

    Honorary Professor Roberto Todeschini

  125. Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors

    Article • Journal of Computer-Aided Molecular Design, February 1992, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  126. Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methods

    Article • Journal of Computer-Aided Molecular Design, December 1991, Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  127. Rabbit nest construction and its relationship with litter development

    Article • Applied Animal Behaviour Science, August 1991, Elsevier

    Honorary Professor Roberto Todeschini

  128. Chemometric optimization of the ruthenium carbonyl catalysed cyclization of 2-nitrostilbene to 2-phenylindole

    Article • Journal of the Chemical Society Faraday Transactions, January 1991, Royal Society of Chemistry

    Honorary Professor Roberto Todeschini

  129. A new procedure for the visual inspection of multivariate data of different geographic origins

    Article • Chemometrics and Intelligent Laboratory Systems, January 1991, Elsevier

    Honorary Professor Roberto Todeschini

  130. A fast method for the calculation of partial least squares coefficients

    Article • Chemometrics and Intelligent Laboratory Systems, January 1991, Elsevier

    Honorary Professor Roberto Todeschini

  131. A chemometric approach for evaluating the efficiency of a pilot plant for MSW combustion

    Article • Chemosphere, January 1991, Elsevier

    Honorary Professor Roberto Todeschini

  132. Weighted k-Nearest Neighbour Method for the Calculation of Missing Values

    Article • Chemometrics and Intelligent Laboratory Systems, September 1990, Elsevier

    Honorary Professor Roberto Todeschini

  133. Response surface models for the formation of PCDD and PCDF in a pilot plant combustion of MSW

    Article • Chemosphere, January 1990, Elsevier

    Honorary Professor Roberto Todeschini

  134. Pharmacophore Identification in Amnesia-Reversal Compounds Using Conformational Analysis and Chemometric Methods

    Article • QSAR & Combinatorial Science, January 1990, Wiley

    Honorary Professor Roberto Todeschini

  135. School of Chemometrics, Cuenca, Ecuador, 8–12 May 1989

    Article • Chemometrics and Intelligent Laboratory Systems, November 1989, Elsevier

    Honorary Professor Roberto Todeschini

  136. k-nearest neighbour method: The influence of data transformations and metrics

    Article • Chemometrics and Intelligent Laboratory Systems, September 1989, Elsevier

    Honorary Professor Roberto Todeschini

  137. The combustion of municipal solid wastes and PCDD and PCDF emissions. Part 3. PCDD and PCDF in fly ash

    Article • Chemosphere, January 1989, Elsevier

    Honorary Professor Roberto Todeschini

  138. The combustion of municipal solid wastes and PCDD and PCDF emissions. Part 2. PCDD and PCDF in stack gases

    Article • Chemosphere, January 1989, Elsevier

    Honorary Professor Roberto Todeschini

  139. The combustion of municipal solid wastes and PCDD and PCDF emissions. Part 1. PCDD and PCDF in MSW

    Article • Chemosphere, January 1989, Elsevier

    Honorary Professor Roberto Todeschini

  140. The combustion of municipal solid wastes: PCDD and PCDF in MSW and in emissions. A chemometric approach

    Article • Chemosphere, January 1989, Elsevier

    Honorary Professor Roberto Todeschini

  141. PCDD and PCDF in emissions from the combustion of MSW in a pilot plant. Preliminary results

    Article • Chemosphere, January 1989, Elsevier

    Honorary Professor Roberto Todeschini

  142. Theoretical studies of stereoselective aldol condensations

    Article • The Journal of Organic Chemistry, March 1986, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  143. Lewis acid mediated aldol condensations using thioester silyl ketene acetals

    Article • Tetrahedron, January 1986, Elsevier

    Honorary Professor Roberto Todeschini, Professor Anna Bernardi

  144. A theoretical conformational study of push–pull ethylenes. Part 1. Substituted methyleneimidazolidines

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1985, Royal Society of Chemistry

    Honorary Professor Roberto Todeschini

  145. Conformational studies of octalene and its benzo-derivatives

    Article • Journal of Computational Chemistry, August 1984, Wiley

    Honorary Professor Roberto Todeschini

  146. Stereoselective aldol condensations via alkenyloxy dialkoxyboranes : mechanistic and stereochemical details

    Article • Tetrahedron, January 1984, Elsevier

    Honorary Professor Roberto Todeschini

  147. The conformation of 1-vinylcyclohexene

    Article • Journal of Molecular Structure THEOCHEM, December 1983, Elsevier

    Honorary Professor Roberto Todeschini

  148. CONFORMATIONAL ANALYSIS OF TRIMETHYLPHOSPHITE AND ITS METAL COMPLEXES

    Article • Phosphorous and Sulfur and the Related Elements, November 1983, Taylor & Francis

    Honorary Professor Roberto Todeschini

  149. Conformation of bicyclo [n.1.0] derivatives

    Article • Journal of Molecular Structure THEOCHEM, November 1983, Elsevier

    Honorary Professor Roberto Todeschini

  150. Empirical force field calculations for bridged annulenes. II. 1,6‐ethano‐8,13‐methano‐ and 1,6:7,12‐bismethano‐‖14‖annulenes

    Article • The Journal of Chemical Physics, February 1983, American Institute of Physics

    Honorary Professor Roberto Todeschini

  151. Crystal, molecular, and electronic structure of 13,13-difluoro-1,7-methano[12]annulene

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1983, Royal Society of Chemistry

    Honorary Professor Roberto Todeschini

  152. Conformation of bicyclo [n.1.0] Derivatives

    Article • Journal of Molecular Structure THEOCHEM, March 1982, Elsevier

    Honorary Professor Roberto Todeschini

  153. Geometry and energy of overcrowded ethylenes. II. Bornanylidene, fenchylidene, and bifluorenylidene derivatives

    Article • Journal of Computational Chemistry, January 1982, Wiley

    Honorary Professor Roberto Todeschini

  154. Conformation of bicyclo[n.1.0] derivatives

    Article • Journal of Molecular Structure, January 1982, Elsevier

    Honorary Professor Roberto Todeschini

  155. Conformational analysis of polysubstituted ethanes

    Article • Journal of the American Chemical Society, July 1981, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini

  156. Empirical force field calculations for bridged annulenes

    Article • The Journal of Chemical Physics, April 1981, American Institute of Physics

    Honorary Professor Roberto Todeschini

  157. Conformation of bicyclo[n.1.0] derivatives

    Article • Journal of Molecular Structure, February 1981, Elsevier

    Honorary Professor Roberto Todeschini

  158. Electro-optical properties of the oxirane skeleton and the carbon–carbon bond in its derivatives

    Article • Journal of the Chemical Society Faraday Transactions 1 Physical Chemistry in Condensed Phases, January 1981, Royal Society of Chemistry

    Honorary Professor Roberto Todeschini

  159. Geometry and energy of tetra-tert-butylethylene

    Article • Journal of Computational Chemistry, January 1981, Wiley

    Honorary Professor Roberto Todeschini

  160. Conformation of bicyclo[n.1.0]-compounds

    Article • Journal of Molecular Structure, May 1980, Elsevier

    Honorary Professor Roberto Todeschini

  161. Molecular structure of strained polycyclic hydrocarbons. A MINDO/3 study of some bicyclo- and tricyclo-derivatives

    Article • Journal of Molecular Structure, January 1979, Elsevier

    Honorary Professor Roberto Todeschini

  162. The molecular structure of vinyl azide

    Article • Journal of Molecular Structure, November 1978, Elsevier

    Honorary Professor Roberto Todeschini

  163. Molecular conformation of cyclenes

    Article • Journal of Molecular Structure, November 1977, Elsevier

    Honorary Professor Roberto Todeschini

  164. New 3D Molecular Descriptors: The WHIM theory and QSAR Applications

    Article • Springer Science + Business Media

    Honorary Professor Roberto Todeschini

  165. Structure –Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms

    Article • IGI Global

    Honorary Professor Roberto Todeschini

  166. New QSAR Modelling Approach Based on Ranking Models by Genetic Algorithms - Variable Subset Selection (GA-VSS)

    Article • Springer Science + Business Media

    Honorary Professor Roberto Todeschini