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, ...

"What's the difference between mathematical optimization and machine learning?" This is a question that — as the CEO of a mathematical optimization software company — I get asked all the time.