Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of
predictive models of biological activities as a function of structural and molecular information …

Importance of the field: The past decade had witnessed remarkable advances in computer
science which had given rise to many new possibilities including the ability to simulate and …

Aromatase is an enzyme that plays a critical role in the development of estrogen receptor
positive breast cancer. As aromatase catalyzes the aromatization of androstenedione to …

In recent times, there has been a growing interest in artificial neural networks, which are a
rough simulation of the information processing ability of the human brain, as modern and …

In this work we offer linear regression models on a set of aryl-piperazine derivatives that are
obtained by exploring a pool containing 1497 Dragon molecular descriptors, in order to …

The COVID-19 pandemic, caused by the novel coronavirus SARS-CoV-2, has led to several
million confirmed cases and hundreds of thousands of deaths worldwide. To support the …

O desenvolvimento de técnicas de triagem virtual representa um dos maiores avanços na
atual era de planejamento de fármacos. A triagem virtual, através de inúmeras estratégias …

Abstract We establish predictive Quantitative Structure–Activity Relationships for exploring
the relationship between the structures of a new emerging family of small triphenylmethyl …

Quantitative structure-activity relationship (QSAR) has been instrumental in aiding medicinal
chemists and physical scientists in understanding how modification of substituents at …

A data set of 22 curcumin derivatives with DPPH free radical scavenging activity was used
for classification and quantitative structure-activity relationship (CSAR and QSAR) study …