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New idea for the topological index evaluation and treatise multiple regression with three independent variables. Saturated hydrocarbons used like a model
(SOCIEDAD CHILENA DE QUIMICA, 2006-03)
In QSRR discipline an easy novel to used parameter was designed (Vc) for evaluated classical topological index (W, (1)chi, Z, MTI) and two new generation ones (Xu, (1)chi(h)). Regression between Vc and (1)chi(h) presented ...
Modern drug discovery technologies: opportunities and challenges in lead discovery
(Bentham ScienceBussum, 2011-12)
The identification of promising hits and the generation of high quality leads are crucial steps in the early stages of drug discovery projects. The definition and assessment of both chemical and biological space have ...
Identificación de moléculas naturales con potencial actividad antibacteriana, contra bacterias gram positivas, a través del análisis in silico de propiedades fisicoquímicas de dos librerías de compañías farmacéuticas
(Bucaramanga : Universidad de Santander, 2018Facultad Ciencias de la SaludMaestría en Investigación en enfermedades Infecciosas, 2018-06-26)
Antibiotic resistance is a threat to human health, with increasing reports of multiple resistant multidrug bacteria and few advances in research for more than 20 years (Kelley et al., 2011). In the search for a solution, ...
New modeling strategies for the computational characterization of nanobioparticles
(Biophysical Society, 2008)
Síntese e estudo das atividades antifúngica e antitumoral dederivados acíclicos e furânicos , -bis-funcionalizados
(Universidade Federal de Minas GeraisUFMG, 2012-09-11)
The present work presents the results obtained from the synthesis and the biological of several bioactive NCEs (NCE= New Chemical Entity), novel a,w-bis-functionalized molecular hybrids which were formed between: organosulfur ...