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AiZynthFinder - A freely accessible open source retrosynthetic planning tool developed as a collaboration between AstraZeneca and the University of Bern. AiZynthFinder predicts synthetic routes to a given target compound, and can be retrained on a users own dataset whether from public or proprietary sources. [1] [2] [3]
In chemistry, a chemical test is qualitative or semi-quantitative procedure designed to prove the existence of a chemical compound or chemical group with the aid of a specific reagent. Subcategories This category has the following 3 subcategories, out of 3 total.
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Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them.
XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.
Chemometrics is the science of extracting information from chemical systems by data-driven means. Chemometrics is inherently interdisciplinary, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering.
Randall–Selitto test; Recombinase polymerase amplification; Recrystallization (chemistry) Reflux; Relative fluorescence units; Restriction landmark genomic scanning; Reverse complement polymerase chain reaction; Reverse transcription polymerase chain reaction
Pipeline Pilot was initially developed by SciTegic, a company that was acquired by BIOVIA in 2004. In 2014, BIOVIA became part of Dassault Systèmes.. Originally designed for applications in chemistry, Pipeline Pilot's capabilities have since been expanded to support a wider range of data processing tasks, including extract, transform, and load (ETL) processes, as well as general analytical ...