679 search results - page 37 / 136 » Molecular structure determination on a computational and dat... |
MSV
2007
13 years 9 months ago
2007
N-body simulations solve the n-body problem numerically and determine the trajectories of the n point masses. The result of these calculations is a huge amount of data detailing th...
IPPS
1999
IEEE
13 years 12 months ago
1999
IEEE
Determining molecular structure from interatomic distances is an important and challenging problem. Given a molecule with n atoms, lower and upper bounds on interatomic distances ...
CORR
2007
Springer
13 years 7 months ago
2007
Springer
Support vector machines and kernel methods have recently gained considerable attention in chemoinformatics. They offer generally good performance for problems of supervised classi...
PROCEDIA
2010
13 years 6 months ago
2010
Large-scale distributed applications are becoming more and more demanding in terms of efficiency and flexibility of the technological infrastructure, for which traditional soluti...
BIOINFORMATICS
2012
11 years 10 months ago
2012
Summary: The MolClass toolkit and data portal generates computational models from user-defined small molecule datasets based on structural features identified in hit and non-hit m...