Towards a standard methodology to evaluate internal cluster validity indices

The evaluation and comparison of internal cluster validity indices is a critical problem in the clustering area. The methodology used in most of the evaluations assumes that the clustering algorithms work correctly. We propose an alternative methodology that does not make this often false assumption. We compared 7 internal cluster validity indices with both methodologies and concluded that the results obtained with the proposed methodology are more representative of the actual capabilities of the compared indices.

SYSTEMATICS OF GROUNDWATER OLIGOCHAETES (ANNELIDA, CLITELLATA) IN KARSTIC AREAS OF THE CANTABRIAN REGION/ ERREGIO KANTAURIARREKO EREMU KARSTIKOETAN DAUDEN LURPEKO OLIGOKETO (ANNELIDA, CLITELLATA) URT

This thesis deals with the oligochaete taxa (Annelida, Clitellata) from several karst units in the Cantabrian region, northern Iberian Peninsula. Groundwater oligochaetes are still poorly known fauna and the area seems to be a promising hotspot for groundwater taxa. Metodology is based on both morphological and molecular analyses. More than 7,000 specimens were collected from five karst units and >60 taxa were identified. Stygobiont oligochaete fauna in the northern Iberian Peninsula is diverse and mostly endemic (range areas <300 km). Three new stygogiont oligochaete species are described: Gianius navarroi Rodriguez & Achurra, 2010, Isochaetides gianii Rodriguez & Achurra, 2010 and Troglodrilus jugeti Achurra et al., 2012; and another four new taxa will be described in the near future. Taxonomic remarks on Lophochaeta ignota Stolc, 1886 and Troglodrilus galarzai (Giani & Rodriguez, 1988) are provided. The controversial separation of L. ignota and Heterochaeta costata Claparède, 1863 from Tubifex Lamarck, 1816 is corroborated by mitochondrial molecular data. Following the DNA barcoding method, individuals of the stygoxene species Stylodrilus heringianus Claparède, 1862 from different geographic areas are shown to represent a single metapopulation. The first phylogenetic analysis of the subfamily Tubificinae based on molecular data is attemped, which although incompletely resolved, evidences for the first time a close relationship between a stygobiont oligochaete (Troglodrilus Juget et al. 2006) and an estuarine especies (Heterochaeta costata Claparéde, 1863). A marine ancestor is hypothesised for Troglodrilus. Finally, Ereñozar karst unit (Biscay) is suggested to be a hotspot for groundwater oligochaetes (11 stygobiont taxa, of which 4 are endemic to the karst unit) and several biodiversity indices (Species richness, Rarity, Vulnerability and Complementarity) are shown to be useful tools for conservation management of groundwater habitats in that karst area.

Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

In a multi-target complex network, the links (L-ij) represent the interactions between the drug (d(i)) and the target (t(j)), characterized by different experimental measures (K-i, K-m, IC50, etc.) obtained in pharmacological assays under diverse boundary conditions (c(j)). In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%-90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human). Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1) assay in absence of neurotoxic agents; (2) in the presence of glutamate; and (3) in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA)-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.