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A large virtual combinatorial library of polymethacrylates was, for the first time, designed for computer-aided prediction of biorelevant and material properties and focused polymer synthesis. The distinguishing features of this virtual library include its size (about 40 000 compounds), its explicit representation of relatively long polymer chains, and its accounting for different compositions in...
We present an improved semi-empirical (surrogate) model for the prediction of fibrinogen adsorption to the surfaces of polymers in a combinatorial library. The most important novel features of this model vis a vis our previous method is that it accurately predicts fibrinogen adsorption to a group of 20 polymers based on their structure alone, i.e. without using any experimental data for these 20 polymers...
We present a Surrogate (semi-empirical) model for prediction of cellular response to the surfaces of biodegradable polymers that have been designed for tissue engineering applications. The predictions of our model, when tested against experimental results, show a high degree of accuracy that is sufficient for rational design of polymeric materials for biomedical applications. The model was determined...
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