Quantitative dynamic models are widely used to study cellular signal processing. A critical step in modelling is the estimation of unknown model parameters from experimental data. As model sizes and ...

Molecule optimization is a critical step in drug development to improve the desired properties of drug candidates through chemical modification. We have developed a novel deep generative model, Modof, ...

The selective oxidation of alcohols to aldehydes is a vital reaction in organic synthesis and chemical production. However, this reaction exhibits a complex reaction network influenced by temperature, ...

Ed Rothberg is Chief Scientist and Chairman of the Board at Gurobi, producer of one of the world’s fastest mathematical optimization solver. Despite a growing level of interest in mathematical ...