Sentence examples for molecule with path-based from inspiring English sources

It is difficult to capture overall features of the molecule with path-based approaches.

However, using ChemDB with path-based, lossy modulo-OR compressed fingerprints, we have observed several important trends in the resulting Tanimoto score distribution.

It is a path-based fingerprint that identifies small molecule fragments based on all linear and ring substructures and maps them onto a bit-string using a hash function (somewhat similar to the daylight fingerprints [ 47, 48]).

This display shows fairly consistent independent path-based estimates with exception of the indirectly estimated treatment effect via fluv with OR 2.8 [1.01 7.77].

Topological or path-based fingerprints describe fragments of a molecule, typically by enumerating all paths through a molecule up to a certain number of bonds, then hashing each path to create a fingerprint.

The FP2 path-based fingerprint, which indexes small molecule fragments, was used to generate the similarity results.

Network flows are associated with congestion-based disruptions which can worsen path-based predictions of performance.

With their development, a new attack called a path-based DoS (PDoS) attack has appeared.

We present a path-based model and solve it with a branch-and-price-and-cut algorithm.

Also, many of the features used are path-based, that is, they traverse combinatorially exhaustive paths through the molecule up to a certain length.

All path-based estimates are combined as a weighted sum with weights proportional to their inverse variances.