ChemMaps lets researchers navigate the chemical universe

ChemMaps lets researchers navigate the chemical universe

6 years ago
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https://phys.org/news/2018-06-chemmaps-chemical-universe.html

"The premise for ChemMaps was to make it the Google Maps of drugs," says Denis Fourches, assistant professor of chemistry at NC State. "It allows anyone using a computer or a tablet to easily browse and navigate the chemical space of marketed drugs in a 3-D environment. We really wanted to make the graphic interface in ChemMaps relevant for a student or for a specialist in medicinal chemistry."

With ChemMaps, the chemicals look like stars—points of light scattered across the screen. Each star, or compound, is positioned in relationship to the others within the complex chemical space based on their structural properties. When a user clicks on a particular compound-star, several key characteristics of that chemical are displayed: its systematic name, brand name, chemical structure, medical indication, external identifiers, and other physical chemical properties.

ChemMaps lets researchers navigate the chemical universe

Jun 4, 2018, 10:03pm UTC
https://phys.org/news/2018-06-chemmaps-chemical-universe.html > "The premise for ChemMaps was to make it the Google Maps of drugs," says Denis Fourches, assistant professor of chemistry at NC State. "It allows anyone using a computer or a tablet to easily browse and navigate the chemical space of marketed drugs in a 3-D environment. We really wanted to make the graphic interface in ChemMaps relevant for a student or for a specialist in medicinal chemistry." > With ChemMaps, the chemicals look like stars—points of light scattered across the screen. Each star, or compound, is positioned in relationship to the others within the complex chemical space based on their structural properties. When a user clicks on a particular compound-star, several key characteristics of that chemical are displayed: its systematic name, brand name, chemical structure, medical indication, external identifiers, and other physical chemical properties.