about
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasetsQuBiLS-MIDAS: a parallel free-software for molecular descriptors computation based on multilinear algebraic maps.IMMAN: free software for information theory-based chemometric analysis.Database fingerprint (DFP): an approach to represent molecular databases.QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.Multi-Server Approach for High-Throughput Molecular Descriptors Calculation based on Multi-Linear Algebraic Maps.Tensor algebra-based geometric methodology to codify central chirality on organic molecules.Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators.Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes.Constraining the Prebiotic Cell Size Limits in Extremely Hostile Environments: A Dynamical Perspective.N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis.Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applicationsDrug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screeningOptimum Search Strategies or Novel 3D Molecular Descriptors: is there a Stalemate?N-Linear Algebraic Maps for Chemical Structure Codification: A Suitable Generalization for Atom-pair Approaches?Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebraLEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARsGOWAWA Aggregation Operator-based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular EncodingSmoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular EncodingMuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein DescriptorsEnhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular EncodesPredicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactionsTensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other MethodsEnsemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches
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description
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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César R García-Jacas
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P1053
I-2049-2017
P106
P108
P1153
56189852800
P21
P31
P3829
P496
0000-0002-3962-7658