From Big Data to Artificial Intelligence: chemoinformatics meets new challenges
Igor V. Tetko, Ola Engkvist
Abstract
The increasing volume of biomedical data in chemistry and life sciences requires development of new methods and approaches for their analysis. Artificial Intelligence and machine learning, especially neural networks, are increasingly used in the chemical industry, in particular with respect to Big Data. This editorial highlights the main results presented during the special session of the International Conference on Neural Networks organized by "Big Data in Chemistry" project and draws perspectives on the future progress of the field.
Topics & Concepts
Big dataCheminformaticsComputer scienceSession (web analytics)Field (mathematics)Artificial intelligenceArtificial neural networkData scienceData miningChemistryWorld Wide WebMathematicsPure mathematicsComputational chemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies