Topological Constraints on the Dynamics of Vortex Formation in a Two-Dimensional Quantum Fluid.

We present experimental and theoretical results on formation of quantum vortices in a laser beam propagating in a nonlinear medium. Topological constrains richer than the mere conservation of vorticity impose an elaborate dynamical behavior to the formation and annihilation of vortex-antivortex pairs. We identify two such mechanisms, both described by the same fold-Hopf bifurcation.

Photon thermalization and a condensation phase transition in an electrically pumped semiconductor microresonator.

We report on an experimental study of photon thermalization and condensation in a semiconductor microresonator in the weak-coupling regime. We measure the dispersion relation of light and the photon mass in a single-wavelength, broad-area resonator. The observed luminescence spectrum is compatible with a room-temperature, thermal-equilibrium distribution.

Endocrine disruption: the noise in available data adversely impacts the models' performance.

This paper is devoted to the analysis of available experimental data and preparation of predictive models for binding affinity of molecules with respect to two nuclear receptors involved in endocrine disruption (ED): the oestrogen (ER) and the androgen (AR) receptors. The ED-relevant data were retrieved from multiple sources, including the CERAPP, CoMPARA, and the Tox21 projects as well as ChEMBL and PubChem databases. Data analysis performed with the help of generative topographic mapping revealed the problem of low agreement between experimental values from different sources.

Visualization and Analysis of the REACH-chemical Space with Generative Topographic Mapping.

In the framework of REACH (Registration Evaluation Authorization and restriction of Chemicals) regulation, industries have generated and reported a huge amount of (eco)toxicological data on substance produced or imported in Europe. The registration procedure initiated the creation of a large REACH database of well defined (eco)toxicological properties. Here, the data distribution in the REACH chemical space was analyzed with the help of the Generative Topographic Mapping (GTM) approach.

Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae, and fish.

We report new consensus models estimating acute toxicity for algae, and fish endpoints. We assembled a large collection of 3680 public unique compounds annotated by, at least, one experimental value for the given endpoint. Support Vector Machine models were internally and externally validated following the OECD principles.