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Advancing Cheminformatics—A Theme Issue in Honor of Professor Jürgen Bajorath
Free accessDOAJ | 2022| -
Similarity Searching for Potent Compounds Using Feature Selection
American Chemical Society | 2013| -
Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications
Free accessDOAJ | 2021| -
Mechanistic Study on the Ruthenium-Catalyzed Direct Amination of Alcohols
American Chemical Society | 2014| -
Extracting Compound Profiling Matrices from Screening Data
Free accessAmerican Chemical Society | 2018| -
Support Vector Machine Classification and Regression Prioritize Different Structural Features for Binary Compound Activity and Potency Value Prediction
Free accessAmerican Chemical Society | 2017| -
Bayesian Similarity Searching in High-Dimensional Descriptor Spaces Combined with Kullback-Leibler Descriptor Divergence Analysis
American Chemical Society | 2008| -
Quantitative Comparison of Three-Dimensional Activity Landscapes of Compound Data Sets Based upon Topological Features
Free accessAmerican Chemical Society | 2020| -
Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds
American Chemical Society | 2017|
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