about
Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systemsQSAR modeling: where have you been? Where are you going to?Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets.Characterization of DNA primary sequences by a new similarity/diversity measure based on the partial ordering.Quantitative structure-activity relationship models for ready biodegradability of chemicals.Classification of multiway analytical data based on MOLMAP approach.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 2. Variable reduction.Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 3. Variable selection in classification.Self organizing maps for analysis of polycyclic aromatic hydrocarbons 3-way data from spilled oils.In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna.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.Expert QSAR system for predicting the bioconcentration factor under the REACH regulation.N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers.QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions?Impact of medium-distance pollution sources in a Galician suburban site (NW Iberian peninsula).Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.Towards global QSAR model building for acute toxicity: Munro database case study.Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling.Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection.Investigating the mechanisms of bioconcentration through QSAR classification trees.Comparing roadsoils pollution patterns extracted by MOLMAP and classical three-way decomposition methods.Prediction of aromatic amines mutagenicity from theoretical molecular descriptors.A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas).Comparison of different approaches to define the applicability domain of QSAR models.Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective.Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors.Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity-rich structural regionsA new concept of higher-order similarity and the role of distance/similarity measures in local classification methodsQuantitative structure–activity relationships to predict sweet and non-sweet tastesHow to weight Hasse matrices and reduce incomparabilitiesA novel variable reduction method adapted from space-filling designsK-CM: A new artificial neural network. Application to supervised pattern recognitionQSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORSQSAR study on the tropospheric degradation of organic compoundsChapter 9 The DART (Decision Analysis by Ranking Techniques) SoftwareA distance measure between models: a tool for similarity/diversity analysis of model populationsMobyDigs: software for regression and classification models by genetic algorithmsStructure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
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P50
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hulumtuese
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հետազոտող
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Viviana Consonni
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Viviana Consonni
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Viviana Consonni
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P106
P1153
6603405057
P21
P2456
P31
P496
0000-0001-6252-9805