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3D-QSAR studies were carried out using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods.
As an effective method, quantitative structure activity relationship (QSAR) was applied using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA).
A series of 3,4-dihydroquinazoline derivatives with anti-cancer activities against human lung cancer A549 cells were subjected to three-dimensional quantitative structure activity relationship (3D-QSAR) studies using the comparative molecular similarity indices analysis (CoMSIA) approaches.
A series of quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase were subjected to three-dimensional quantitative structure activity relationship (3D-QSAR) studies using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) approaches.
Three-dimensional quantitative structure activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA).
In the present study, a series of 179 quinoline and quinazoline heterocyclic analogues exhibiting inhibitory activity against Gastric (H+/K+ -ATPase were investigated using tH+/K+ -ATPasee molecular field analysis (CoMFA) and comparative molecular similarity indices (CoMSIA) methods.
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Murugesan et al. used the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) to analyze the structural requirements of a DPP-IV active site [ 15].
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This assembly was executed to provide a set of contigs with sequences that are conserved between P. taeda and P. contorta and to use the comparative sequence alignments to design molecular markers with high cross-species transferability.
The comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) were developed using 19 molecules having pIC50 ranging from 9.244 to 5.839.
The comparative molecular field analyses (CoMFA) and comparative molecular similarity indices analyses (CoMSIA) based 3D-QSAR models were derived using pharmacophore-based alignment.
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