In fact, while each conformer has at least one reference shape set, many of the 246 million conformers considered do not have any reference shapes set in one of the seven different fingerprint regions.
Frequency plot of the total count of fingerprint reference shapes set per conformer for the first ten conformers of the 26,157,365 PubCompoundompound records in the Search set, corresponding to 246,874,949 conformers.
In this paper the authors present an algorithm that abstracts an arbitrarily shaped set of building volumes into a group of simplified 'shoebox' building energy models.
A Minnesotan, Thornley said he was smitten from his youth by images of the ballpark's shape, setting and unique features.
"Bretons Praying" (1888) has a nonclassical, snapshotlike composition that tends to flatten the imagery into an arrangement of black and white shapes, setting up the kind of tension between abstraction and illusion that defined early Modernist painting.
Each of his pictures is pieced together from rectangular panels that bear smeary ovoid shapes, setting up a gratifying interplay of geometry, spacey luminosity and eye-ravishing color (Johnson).
Helen, Michael, and Anna carved these shapes, set a piece before each guest.
"So the interest comes in the fast, modern cut of the shape set off against that".
Called "Trojan Horse," this floor-to-ceiling work, with its comic shape, sets an upbeat tone for the show.
The two programs span nearly two decades of Mr. Fagan's choreography, and feature the New York premiere of "Music of the Line/Words in the Shape," set to both electronic and acoustic compositions by John Adams.
