Sentence examples for molecular structure input from inspiring English sources

One of the most popular tools for molecular structure input on the web is the JME applet.

A recursive neural network QSPR model that can take directly molecular structures as input was applied to the prediction of the glass transition temperature of 277 poly meth)acrylates.

Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages.

Optimization-based molecule design is achieved with the genetic algorithm LEA3D, which creates 3D molecular structure information as input for COSMO-RS.

It is gradually becoming accepted that soil OM stability is not primarily regulated by the molecular structure of plant inputs, but instead by the biotic and abiotic properties of the edaphic environment.

The QSAR models were calculated with the representation of the molecular structure by simplified molecular input-line entry system and by the molecular graph.

Project name: FlaME: Flash Molecular Editor - a 2D structure input tool for the web.

Program TRITON is a user oriented software with graphical interface that enables visualization of molecular structures, preparation of input files for computational software and analysis of output data.

QSAR models were calculated with the representation of the molecular structure by the simplified molecular input-line entry system.

This implementation would be further improved by automating the creation of NWChem inputs from, e.g., molecular structure data, and starting the NWChem process.

The redox character of the organic matter accompanied this change in source and molecular structure, with more oxidized character corresponding with organic matter with more microbial input and more reduced character corresponding to organic matter with more plant input.