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Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
Building a Chemical Space Based on Fragment Descriptors
Modern Trends in Chemical Reactions Modeling
Chemoinformatics as a Theoretical Chemistry Discipline
Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis ?
Building a Chemical Space Based on Fragment Descriptors
Visualize a Multidimensional Descriptor Space
Transductive Support Vector Machines: Promising Approach to Model Small and Unbalanced Datasets
The One-Class Classification Approach to Data Description and to Models Applicability Domain
Generative Topographic Mapping of Conformational Space
Predictive cartography of metal binders using generative topographic mapping
Artificial intelligence in synthetic chemistry: achievements and prospects
Application of the mol2vec Technology to Large‐size Data Visualization and Analysis
Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling
Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions
Autoignition temperature: comprehensive data analysis and predictive models
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints
GTM-Based QSAR Models and Their Applicability Domains
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge

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