Marjana Novic

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Why to read "yet another book" on statistical methods? This is a question that may arise among chemometricians, chemists, students or anyone using chemometric methods in their research or everyday routine work. However, this book is a very good contribution to a better understanding of statistics because it really captures the point of potential(More)
We present a novel approach combining mathematical methods and artificial neural networks to predict the transmembrane regions of transmembrane proteins, considering protein sequence information alone. We have focused on developing a data-driven model based on a non-linear modelling method, the counter-propagation artificial neural network, and on(More)
BACKGROUND One of the main goals of the new chemical regulation REACH (Registration, Evaluation and Authorization of Chemicals) is to fulfill the gaps in data concerned with properties of chemicals affecting the human health. (Q)SAR models are accepted as a suitable source of information. The EU funded CAESAR project aimed to develop models for prediction(More)
Bilitranslocase is a plasma membrane carrier firstly identified on the sinusoidal (vascular) domain of liver cells and later on also in the gastric epithelium. It transports diverse organic anions, such as bilirubin, some phthaleins and many dietary anthocyanins, suggesting that it could play a role both in the absorption of flavonoids from dietary sources(More)
A computational approach for the identification and investigation of correlations between a chemical structure and a selected biological property is described. It is based on a set of 132 compounds of known chemical structures, which were tested for their binding affinities to the estrogen receptor. Different multivariate modeling methods, i.e., partial(More)
Thrombin is a serine protease which plays important roles in the human body, the key one being the control of thrombus formation. The inhibition of thrombin has become a target for new antithrombotics. The aim of our work was to (i) construct a model which would enable us to predict Ki values for the binding of an inhibitor into the active site of thrombin(More)
The ability to predict meat drip loss by using either near infrared spectra (SPECTRA) or different meat quality (MQ) measurements, such as pH(24), Minolta L(∗), a(∗), b(∗), along with different chemometric approach, was investigated. Back propagation (BP) and counter propagation (CP) artificial neural networks (ANN) were used and compared to PLS (partial(More)
Among the different chemotherapeutic classes available today, the 6-fluoroquinolone (6-FQ) antibacterials are still one of the most effective cures in fighting tuberculosis (TB). Nowadays, the development of novel 6-FQs for treatment of TB mainly depends on understanding how the structural modifications of the main quinolone scaffold at specific positions(More)