in-silico prediction of cellular responses to polymeric biomaterials from their molecular descriptors

Authors

mohammad h fatemi

ameneh kerdarshad

elham gholami rostami

abstract

in this work quantitative structure activity relationship (qsar) methodology was applied for modeling and prediction of cellular response to polymers that have been designed for tissue engineering. after calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regressions (mlr) and artificial neural network (ann) methods. the root mean square error (rmse) of these models were rmsemlr=12.6 and rmseann=10.6. robustness and  reliability of  the developed mlr and ann models were evaluated by using the leave-one-out and leave many out cross-validation methods, which produces the statistics of q2mlr=0.74 and q2ann=0.81. moreover, the chemical applicability domains of these models were determined via leverage approach. the results of these tests indicate the suitability of developed models.  comparison of statistical parameters of mlr and ann models indicate the suitability of non-linear over linear model. the results of this study revealed the high applicability of qsar approach in prediction of cellular response to the polymeric biomaterials.

Upgrade to premium to download articles

Sign up to access the full text

Already have an account?login

similar resources

In-silico prediction of Cellular Responses to Polymeric Biomaterials from Their Molecular Descriptors

In this work quantitative structure activity relationship (QSAR) methodology was applied for modeling and prediction of cellular response to polymers that have been designed for tissue engineering. After calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regressions (MLR) and artificial neural network (ANN) methods. The root m...

full text

the role of russia in transmission of energy from central asia and caucuses to european union

پس ازفروپاشی شوروی،رشد منابع نفت و گاز، آسیای میانه و قفقاز را در یک بازی ژئوپلتیکی انرژی قرار داده است. با در نظر گرفتن این منابع هیدروکربنی، این منطقه به یک میدانجنگ و رقابت تجاری برای بازی های ژئوپلتیکی قدرت های بزرگ جهانی تبدیل شده است. روسیه منطقه را به عنوان حیات خلوت خود تلقی نموده و علاقمند به حفظ حضورش می باشد تا همانند گذشته گاز طبیعی را به وسیله خط لوله مرکزی دریافت و به عنوان یک واس...

15 صفحه اول

from linguistics to literature: a linguistic approach to the study of linguistic deviations in the turkish divan of shahriar

chapter i provides an overview of structural linguistics and touches upon the saussurean dichotomies with the final goal of exploring their relevance to the stylistic studies of literature. to provide evidence for the singificance of the study, chapter ii deals with the controversial issue of linguistics and literature, and presents opposing views which, at the same time, have been central to t...

15 صفحه اول

prediction of the aquatic toxicity of phenols to tetrahymena pyriformis from molecular descriptors

the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each comp...

full text

prediction of the aquatic toxicity of phenols to tetrahymena pyriformis from molecular descriptors

the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each com...

full text

Degradation of Polymeric Biomaterials

Environmental and processing factors affecting the biostability of medical devices made from traditionally "stable" polymers, such as isotactic polypropylene (PP) and ultrahigh molecular weight polyethylene (UHMW-PE) , were analyzed and their undesirable degradation was related to performance of typical medical devices. Among the critical phenomena determining the biological performance of UHMW...

full text

My Resources

Save resource for easier access later


Journal title:
caspian journal of chemistry

Publisher: university of mazandaran

ISSN 1735-0611

volume 3

issue 1 2014

Hosted on Doprax cloud platform doprax.com

copyright © 2015-2023