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The GTM approach to interpretation of classification models
Where can molecular modeling bring most value to Total?
Predictive QSAR Models to Screen Potential Hazardous Chemicals Under REACH and Applicability Within the Industrial Context
Predictive QSAR Models to Screen Potential Hazardous Chemicals Under REACH and Applicability Within the Industrial Context
Transduction Learning in QSAR: an Efficient Way to Build the Models on Small Data Sets
Generative Topographic Maps (GTM) of physicochemical properties of compounds relevant for industry
Chemical Space Modeling and Visualization with Generative Topographic MAPS
Accélération du Big data en chimie : quels défis pour l’innovation ?
Data visualization, analysis and modeling using Generated Topographic Mapping
The GTM Approach to Interpretation of Classification Models
Chemical space modeling and visualization withgenerative topographic maps
Mobilité Erasmus – enseignements en Chémoinformatique
Mobilité Erasmus – enseignements en Chémoinformatique
Mobilité Erasmus – enseignements en Chémoinformatique
Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble Modeling
Complexation of Mn 2+ , Fe 2+ , Y 3+ , La 3+ , Pb 2+ , and UO 2 2+ with Organic Ligands: QSPR Ensemble Modeling of Stability Constants
Generative topographic mapping in drug design
“Big Data” Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry
Prediction of the Glass-Transition Temperatures of Linear Homo/Heteropolymers and Cross-Linked Epoxy Resins
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control

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