The modification of 3D models

Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of three-dimensional quantitative structure–activity relationship (3D-QSAR) models were conducted using 36 aromatic compound congeners as the training set and eight aromatic compound congeners as the test set. Logarithms of experimental bioconcentration data (logBCF) were used as dependent variables and the physicochemical properties of the aromatic compound congeners were used as independent variables.

21p tudichquannguyet 29-11-2021 13 1   Download

In this paper, in order to construct a 3D quantitative structure–activity relationship (QSAR) model with the chlorobenzene (CB) molecular structure parameter as an independent variable and the octanol-water partition coefficient (KOW ) as a dependent variable, 9 kinds of CB molecules were used as training sets and 3 kinds of CB molecules were used as test sets. We adopted the QSAR module in the Sybyl-X2.0 software from the Tripos Corporation (USA).

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In the proposed model, the gray interconnect degree method was employed to process the acute toxicity values of phthalate acid esters (PAEs) to green algae, daphnia, mysid, and fish (predicted by EPI Suite software) and to obtain the comprehensive characterization value of the multireceptor toxicity effect (MTE) of PAEs. The 3D-QSAR pharmacophore model indicated that hydrophobic groups significantly affected the MTE of PAEs.

16p tudichquannguyet 29-11-2021 12 1   Download

(bq) part 2 book "introduction to autocad 2010 - 2d and 2d design" has contents: introducing 3d modelling, 3d models in viewports, the modification of 3d models, building drawing, editing 3d solid models,... and other contents.

211p bautroibinhyen18 21-02-2017 39 4   Download