publication venue for
- Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity.. 55:39-53. 2015
- In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window.. 53:1957-66. 2013
- Classifying molecules using a sparse probabilistic kernel binary classifier.. 51:1539-44. 2011