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The two dimensional quantitative structure-activity relationship (2D-QSAR) approach was used to investigate the catalytic activities for a date set of 58 2-azacyclyl-6-aryliminopyridylmetal complexes.
To overcome this limitation, we study the expression of a pair of genes and treat the variation in their co-expression pattern as a two dimensional quantitative trait.
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Three Dimensional Quantitative Structure Activity relationship (3D-QSAR) studies, performed to optimize the lead, have been summarized at some places.
Comparative molecular field analysis (CoMFA) has been widely used as a standard three dimensional quantitative structure activity relationship (3D-QSAR) method.
Three dimensional quantitative structure activity relationship (3D-QSAR) studies were carried out on deoxythymidine monophosphate (dTMP) derivatives inhibiting thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis.
The identified 5 feature pharmacophore model, AHHPR, was validated via three dimensional quantitative structure activity relationship as indicated by r2, q2 and Pearson R values of 0.9013, 0.7726 and 0.9041 respectively.
In addition, a three dimensional quantitative structure-activity relationships model which possessed reasonable statistics (q2 = 0.885 and r2 = 0.993) was conducted to further understand the structural basis of these compounds as xanthine oxidase inhibitors.
The present investigation is aimed at in silico three dimensional quantitative structure pharmacokinetic relationship (3D-QSPkR) assessment of a group of NSAIDs using self-organizing molecular field analysis (SOMFA) approach.
In the present study, we have performed three dimensional Quantitative Structure activity relationship (3D-QSAR) studies on a series of 1- 4-Phenylpiperazin-1-yl -2- 1H-pyrazol-1-yl) ethanone derivatives targeting CCR1- 4-Phenylpiperazin-1-yl -2- 1H-pyrazol-1-yl
A series of 29 thieno[3,2-d]pyrimidines with affinity for PDE IV was subjected to three dimensional quantitative structure activity relationship (3D-QSAR) studies using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA).
Three dimensional quantitative structure activity relationship studies (3D-QSAR) involving comparative molecular field analysis (CoMFA) and comparative similarity indices analysis (CoMSIA) and molecular docking were performed on 44 phenoxypyrimidinyl imidazole p38 kinase inhibitors to find out the structural relationship with the activity.
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