Andreas Bender
0000-0002-6683-7546
10 papers found
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Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening
Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty
Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data
Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular Structure
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