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MIA-QSAR modeling of activities of a series of AZT analogues: bi- and multilinear PLS regression
(Taylor & Francis, 2020)
Influence of spatial information coding into 2D and 3D descriptors for QSAR modelling purposesInfluência da codificação de informações espaciais em descritores 2D e 3D para fins de modelagem QSAR
(Universidade Federal de LavrasPrograma de Pós-graduação em AgroquímicaUFLAbrasilDepartamento de Química, 2023)
QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
(Informa Healthcare, 2014-10-09)
Quantitative structure--activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. ...
Quantitative structure–activity relationship (QSAR) analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors
(John Wiley & Sons Ltd, 2018-07)
BACKGROUND: We have developed a quantitative structure?activity relationship (QSAR) model for predicting the larvicidal activity of 60 plant-derived molecules against Aedes aegypti L. (Diptera: Culicidae), a vector of ...
QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitors
(Taylor and Francis Online, 2018)
Fragment-based QSAR strategies in drug design
(Informa HealthcareLondon, 2010-05)
Recently, fragment-based drug design has been established as a crucial strategy for hit identification and lead generation, which has strongly encouraged the development of approaches to specifically recognize and evaluate ...