In this work, a laboratory of remote access is proposed to perform experiments using the Internet in order to facilitate the propagation of technical and scientific information an...
We investigate the following data mining problem from Computational Chemistry: From a large data set of compounds, find those that bind to a target molecule in as few iterations o...
We consider efficient strategies for the parallel and distributed computation of large sets of multivariate integrals. These arise in many applications such as computational chem...
Chemical named entities represent an important facet of biomedical text. We have developed a system to use character-based ngrams, Maximum Entropy Markov Models and rescoring to r...
This paper demonstrates how machine learning methods can be applied to deal with a realworld decipherment problem where very little background knowledge is available. The goal is ...