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- Pere Constans, Lluís Amat, Ramon Carbó-Dorca
- Journal of Computational Chemistry
- 1997

A quantum similarity measure between two molecules is normally identified with the maximum value of the overlap of the corresponding molecular electron densities. The electron density overlap is a function of the mutual positioning of the compared molecules, requiring the measurement of similarity, a solution of a multiple-maxima problem. Collapsing the… (More)

- Pere Constans, Ramon Carbó-Dorca
- Journal of Chemical Information and Computer…
- 1995

Expressing molecular electron densities as linear combinations of Guassian 1S spherical functions extends accurate computations of ab initio quantum molecular similarity measures to large systems. These approximate least squares fitted functions lose the density of probability statistical meaning since some coefficients might be negative. A new algorithm… (More)

- Kun Wang, Marta Murcia, Pere Constans, Carlos Pérez, Angel R. Ortiz
- Journal of Computer-Aided Molecular Design
- 2004

We present a new approach to automatically define a quasi-optimal minimal set of pharmacophoric points mapping the interaction properties of a user-defined ligand binding site. The method is based on a fitting algorithm where a grid of sampled interaction energies of the target protein with small chemical fragments in the binding site is approximated by a… (More)

- Pere Constans
- Journal of Computational Chemistry
- 2002

The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the exponential decay of the function's atom-atom terms most interatomic contributions are numerically negligible on large systems. An improved algorithm for the evaluation of the… (More)

- P Constans, A Baron, R Parrot, C Coury
- Chest
- 1972

- Pere Constans, Jonathan D. Hirst
- Journal of Chemical Information and Computer…
- 2000

Several nonparametric regressors have been applied to modeling quantitative structure-activity relationship (QSAR) data. The simplest regressor, the Nadaraya-Watson, was assessed in a genuine multivariate setting. Other regressors, the local linear and the shifted Nadaraya-Watson, were implemented within additive modelssa computationally more expedient… (More)

- Pere Constans
- ArXiv
- 2009

Several recognition methods that target bibliographical metadata extraction from scholarly texts had been described. Based on the underlying methodological basis, they are formally grouped into two categories. One, named knowledge representation and template mining, uses prior pattern knowledge to segment texts and to retrieve data [1, 2, 3, 4, 5, 6, 7].… (More)

- C Coury, P Constans, H de Saxce
- Revue de tuberculose et de pneumologie
- 1970

- Pere Constans
- ArXiv
- 2007

An approximate textual retrieval algorithm for searching sources with high levels of defects is presented. It considers splitting the words in a query into two overlapping segments and subsequently building composite regular expressions from interlacing subsets of the segments. This procedure reduces the probability of missed occurrences due to source… (More)

- P Constans, M Saint-Paul, Y Morin, G Bonnaud, M Bariety
- Acta tuberculosea et pneumologica Belgica
- 1969