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Workshop

Chemical data as stochastic processes

  • Duc Luu (Max Planck Institute for Mathematics in the Sciences, Germany)
E1 05 (Leibniz-Saal)

Abstract

It is well known that the chemical compounds constructed from 4 elements C,H,N,O account for approximately 95 percent of all new substances found every year, hence investigating this data can answer partly a question on how one can learn and predict the evolution of the chemical data. Following the languages of stochastic processes and dynamical systems, we explain the phenomena that the log-volatility of the new substances has the tendency to reduce over time and that the process has long-range dependence. As it turns out, the chemical space is very well structured in topological shape which indicates the influence of certain rules and methods in creating new chemical substances.

Antje Vandenberg

Max Planck Institute for Mathematics in the Sciences Contact via Mail

Guillermo Restrepo

Max Planck Institute for Mathematics in the Sciences