Matières à former-conformer-transformer

Table des matières 1

In this thesis, we propose a set of tools for the statistical quanti cation and com-parison of asymmetry within a population or between two populations of structuresrepresented by 3D point sets. These tools are designed in a coherent framework relyingon a modeling of the point sets as mixtures of probability density functions dependingon parameters describing for example a re ec...

Cryptographie Et Courbes Elliptiques Table Des Matières

et Systèmes Dynamiques Table des Matières

1 Algèbres de Lie : définitions, exemples. 3 1.1 Définition et exemples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 1.2 Exemples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 1.3 Sous-algèbres de Lie, morphismes. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 1.4 Algèbres Lie-admissibles . . . . . ....

PubChem3D: Conformer generation

BACKGROUND PubChem, an open archive for the biological activities of small molecules, provides search and analysis tools to assist users in locating desired information. Many of these tools focus on the notion of chemical structure similarity at some level. PubChem3D enables similarity of chemical structure 3-D conformers to augment the existing similarity of 2-D chemical structure graphs. It i...

PubChem3D: conformer ensemble accuracy

UNLABELLED BACKGROUND PubChem is a free and publicly available resource containing substance descriptions and their associated biological activity information. PubChem3D is an extension to PubChem containing computationally-derived three-dimensional (3-D) structures of small molecules. All the tools and services that are a part of PubChem3D rely upon the quality of the 3-D conformer models. ...