Mathematical chemistryMathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry.
Analog-to-digital converterIn electronics, an analog-to-digital converter (ADC, A/D, or A-to-D) is a system that converts an analog signal, such as a sound picked up by a microphone or light entering a digital camera, into a digital signal. An ADC may also provide an isolated measurement such as an electronic device that converts an analog input voltage or current to a digital number representing the magnitude of the voltage or current. Typically the digital output is a two's complement binary number that is proportional to the input, but there are other possibilities.
Quantitative structure–activity relationshipQuantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models relate a set of "predictor" variables (X) to the potency of the response variable (Y), while classification QSAR models relate the predictor variables to a categorical value of the response variable.
Graphics processing unitA graphics processing unit (GPU) is a specialized electronic circuit initially designed to accelerate computer graphics and (either on a video card or embedded on the motherboards, mobile phones, personal computers, workstations, and game consoles). After their initial design, GPUs were found to be useful for non-graphic calculations involving embarrassingly parallel problems due to their parallel structure. Other non-graphical uses include the training of neural networks and cryptocurrency mining.
