Enalos Nanoinformatics Cloud Platform: A Safe-by-Design Tool for Functionalised Nanomaterials

Enalos Cloud Nanoinformatics PlatformA Safe-by-Design Tool for Functionalised NanomaterialsOverview Multi-walled carbon nanotubes are currently used in numerous industrial applications and products, therefore fast and accurate evaluation of their biological and toxicological effects is of utmost importance. Computational methods and techniques, previously applied in the area of cheminformatics for the prediction of adverse effects of chemicals,…

Enalos Cloud Platform: A friendly user interface for Chem / Nano Informatics Applications

Enalos Cloud PlatformA friendly user interface for Chem / Nano Informatics ApplicationsOverview Enalos Cloud Platform, developed by NovaMechanics Ltd, is an online, freely available cheminformatics and nanoinformatics cloud platform, that hosts predictive models released as web services, which aim to address the need to reduce the amount of time and cost spent on experimental testing…

Evaluation of theoretical descriptors for NM

Evaluation of Theoretical Descriptors for NMOverview The MOPAC program performs semi-empirical (quantum mechanical) calculations for the evaluation of theoretical descriptors (molecular and electronic properties) of NMs to tackle the size of NMs efficiently, i.e. the large number of atoms in a NM. The effect of solvents can be captured by the COSMO method implemented in…

Jaqpot Computational Platform for In Silico Modelling

Jaqpot Computational Platform for In Silico ModellingOverview Jaqpot is a computational platform for in silico modelling of chemical compounds, that provides both access to its services both over a User Interface (GUI) and an Application Programming Interface (API). It is a cloud-ready application that uses the benefits of Java, R and Python, having incorporated functionality…