Existing deep learning models applied to reaction prediction in organic chemistry can reach high levels of accuracy (>90% for natural language processing-based ones). With no chemical knowledge embedded other than the information learnt from data, quality datasets plays a crucial role performance models. Human curation is prohibitively expensive, so unaided approaches remove chemically incorrec...

Graph reduction is an implementation technique for the lazy λ-calculus. It has been used to implement many non-strict functional languages, such as lazy ML, Gofer and Miranda. Parallel graph reduction allows for concurrent evaluation. In this paper, we present parallel graph reduction as a Chemical Abstract Machine, and show that the resulting testing semantics is adequate wrt testing equivalen...

In this study, silver nanoparticles were synthesized by chemical reduction method at different concentrations of Ag colloid in the range of 500-16000 ppm. Nanoparticles were deposited by spin coating method on pre-etched glass and Si substrates. Structural, optical and electrical properties of the samples were studied using Scanning Electron Microscopy equipped with EDAX, UV-Vis spectroph...

In the analysis of combustion processes, simulation is a costefficient tool that complements experimental testing. The simulation models must be precise if subtle differences are to be detected. On the other hand, computational evaluation of precise models typically requires substantial effort. To escape the computational bottleneck, reduced chemical schemes, for example, ILDM-based methods or ...

An adaptive model reduction algorithm is proposed for systems of ODEs from chemical kinetics. Its goal is to provide an accurate approximation to the solution of these systems faster than could be obtained through straightforward numerical integration. The algorithm approximates a system with a sequence of reduced models, each one appropriate to the dynamics of the system during a period of the...

This article deals with pollution control through source reduction, as an alternative to waste treatment. Many treatment systems simply remove an undesirable process waste from one medium and capture it in another. For example, scrubbers on smokestacks remove Undesirable combustion products by dissolving them in water. Biodegradation of chemicals in wastewater produces sludges (solid wastes)....