Lista de obras - Viviana Consonni - Dominio Público Uruguay

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

article

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

article

A novel variable reduction method adapted from space-filling designs

scholarly article by Davide Ballabio et al published August 2014 in Chemometrics and Intelligent Laboratory Systems

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

artículo científico publicado en 2015

Applications of Self-Organizing Maps to Address Environmental Studies

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

artículo científico publicado en 2012

Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective

artículo científico publicado en 2014

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

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data Part 2. Variable reduction

artículo científico publicado en 2009

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

artículo científico publicado en 2009

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

artículo científico publicado en 2010

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

article

Characterization of DNA primary sequences by a new similarity/diversity measure based on the partial ordering.

artículo científico publicado en 2006

Chemometrics in QSAR

Classification of ancient Etruscan ceramics using statistical multivariate analysis of data

article published in 2004

Classification of multiway analytical data based on MOLMAP approach

artículo científico publicado en 2007

Classification tools in chemistry. Part 1: linear models. PLS-DA

article

Comments on the Definition of theQ2Parameter for QSAR Validation

artículo científico publicado en 2009

Comparing roadsoils pollution patterns extracted by MOLMAP and classical three-way decomposition methods

artículo científico publicado en 2010

Comparison of different approaches to define the applicability domain of QSAR models.

artículo científico publicado en 2012

Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study

scientific article published on 02 March 2020

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

artículo científico publicado en 2013

Descriptors from Molecular Geometry

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

article

Effectiveness of molecular fingerprints for exploring the chemical space of natural products

artículo científico publicado en 2024

Evaluation of model predictive ability by external validation techniques

article

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

artículo científico publicado en 2016

Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks

scholarly article by Davide Ballabio et al published January 2011 in Chemometrics and Intelligent Laboratory Systems

High-performance size-exclusion chromatographic behaviour of substituted benzoylpoly-l-lysines by principal component analysis and molecular dynamics simulation

article

How to weight Hasse matrices and reduce incomparabilities

scholarly article by Francesca Grisoni et al published October 2015 in Chemometrics and Intelligent Laboratory Systems

Impact of medium-distance pollution sources in a Galician suburban site (NW Iberian peninsula).

artículo científico publicado en 2015

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

artículo científico publicado en 2016

Investigating the mechanisms of bioconcentration through QSAR classification trees.

artículo científico publicado en 2016

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

scholarly article by Massimo Buscema et al published November 2014 in Chemometrics and Intelligent Laboratory Systems

Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection

artículo científico publicado en 2013

Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project

artículo científico publicado en 2019

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

scholarly article by Roberto Todeschini et al published 18 January 2018 in Journal of Chemometrics

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

artículo científico publicado en 2016

MobyDigs: software for regression and classification models by genetic algorithms

article

Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors

artículo científico publicado en 2000

Multivariate Analysis of Molecular Descriptors

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

artículo científico publicado en 2015

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

scholarly article

On the Misleading Use of QF32 for QSAR Model Comparison

artículo científico publicado en 2018

Particle size, chemical composition, seasons of the year and urban, rural or remote site origins as determinants of biological effects of particulate matter on pulmonary cells

artículo científico publicado en 2013

Predicting molecular activity on nuclear receptors by multitask neural networks

artículo científico publicado en 2020

Prediction of aromatic amines mutagenicity from theoretical molecular descriptors

artículo científico publicado en 2003

QSAR modeling: where have you been? Where are you going to?

artículo científico publicado en 2014

QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions?

artículo científico publicado en 2015

QSAR study on the tropospheric degradation of organic compounds

article

QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals ⬇️

artículo científico publicado el 27 de marzo de 2013

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

Relationships between apple texture and rheological parameters by means of multivariate analysis

article by Davide Ballabio et al published February 2012 in Chemometrics and Intelligent Laboratory Systems

Self organizing maps for analysis of polycyclic aromatic hydrocarbons 3-way data from spilled oils

artículo científico publicado en 2010

Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets

artículo científico publicado en 2012

Steric Control of Conductivity in Highly Conjugated Polythiophenes

Structural alerts for the identification of bioaccumulative compounds

artículo científico publicado en 2018

Structure –Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms

scholarly article

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

article

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

article

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

article

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

scholarly article by Davide Ballabio et al published October 2009 in Chemometrics and Intelligent Laboratory Systems

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

Towards global QSAR model building for acute toxicity: Munro database case study

artículo científico publicado en 2014

Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna

artículo científico publicado en 2014

Lista de obras de Viviana Consonni

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

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

A novel variable reduction method adapted from space-filling designs

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

Applications of Self-Organizing Maps to Address Environmental Studies

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

Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective

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

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data Part 2. Variable reduction

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

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

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

Characterization of DNA primary sequences by a new similarity/diversity measure based on the partial ordering.

Chemometrics in QSAR

Classification of ancient Etruscan ceramics using statistical multivariate analysis of data

Classification of multiway analytical data based on MOLMAP approach

Classification tools in chemistry. Part 1: linear models. PLS-DA

Comments on the Definition of theQ2Parameter for QSAR Validation

Comparing roadsoils pollution patterns extracted by MOLMAP and classical three-way decomposition methods

Comparison of different approaches to define the applicability domain of QSAR models.

Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study

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

Descriptors from Molecular Geometry

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

Effectiveness of molecular fingerprints for exploring the chemical space of natural products

Evaluation of model predictive ability by external validation techniques

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

Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks

High-performance size-exclusion chromatographic behaviour of substituted benzoylpoly-l-lysines by principal component analysis and molecular dynamics simulation

How to weight Hasse matrices and reduce incomparabilities

Impact of medium-distance pollution sources in a Galician suburban site (NW Iberian peninsula).

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

Investigating the mechanisms of bioconcentration through QSAR classification trees.

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

Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection

Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project

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

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

MobyDigs: software for regression and classification models by genetic algorithms

Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors

Multivariate Analysis of Molecular Descriptors

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

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

On the Misleading Use of QF32 for QSAR Model Comparison

Particle size, chemical composition, seasons of the year and urban, rural or remote site origins as determinants of biological effects of particulate matter on pulmonary cells

Predicting molecular activity on nuclear receptors by multitask neural networks

Prediction of aromatic amines mutagenicity from theoretical molecular descriptors

QSAR modeling: where have you been? Where are you going to?

QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions?

QSAR study on the tropospheric degradation of organic compounds

QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals ⬇️

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

Relationships between apple texture and rheological parameters by means of multivariate analysis

Self organizing maps for analysis of polycyclic aromatic hydrocarbons 3-way data from spilled oils

Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets

Steric Control of Conductivity in Highly Conjugated Polythiophenes

Structural alerts for the identification of bioaccumulative compounds

Structure –Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms

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

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

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

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

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

Towards global QSAR model building for acute toxicity: Munro database case study

Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna