Sentence examples for fragment chain from inspiring English sources

Given a valid overlapping fragment chain, (F1,…, F k ), an overlap split position between chained fragments F i and F i +1, is a position r∈[ F i +1.

Finally the fragment chain between fragments A and B is chosen for the spatial tube representation.

In the latter case, the determined linear fragment chain is a heuristic result only but still sufficient for all practical purposes.

A straightforward approach is a spatial tube representation of the molecular fragment configuration: The longest linear fragment chain in the molecule is determined and its fragments are consecutively lined up along a straight line according to the specified MFD bond length.

For a fast determination of a sufficiently long linear fragment chain, the Depth-First Search DFSS) algorithm may be used [34]: Starting from the first fragment of the fSMILES string, the maximum-distant fragment (denoted A) is evaluated by a first DFS run.

Post-refinement of the fragment chain.

Fragment chains with overlapping fragments.

As per the algorithm for disjoint fragment chaining, this variant of the fragment chaining with overlapping fragments method needs O(K) time.

We incorporated clustering in local fragment chaining with linear gap costs using an analogous condition.

We also present a novel computational tool, Dissect, which implements the fragment chaining formulation described above.

We implemented the local fragment chaining algorithm, introduced by [ 4, 6].