interpretability

Improving the assessment of deep learning models in the context of drug-target interaction prediction

Machine Learning techniques have been widely adopted to predict drug-target interactions, a central area of research in early drug discovery. These techniques have shown promising results on various benchmarks although they tend to suffer from poor …

Protein profiles: Biases and protocols

The use of evolutionary profiles to predict protein secondary structure, as well as other protein structural features, has been standard practice since the 1990s. Using profiles in the input of such predictors, in place or in addition to the sequence …