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» The Inference Based on Molecular Computing
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ICDM
2002
IEEE
91views Data Mining» more  ICDM 2002»
14 years 2 months ago
Mining Molecular Fragments: Finding Relevant Substructures of Molecules
We present an algorithm to find fragments in a set of molecules that help to discriminate between different classes of, for instance, activity in a drug discovery context. Instea...
Christian Borgelt, Michael R. Berthold
FSTTCS
1998
Springer
14 years 2 months ago
Alternative Computational Models: A Comparison of Biomolecular and Quantum Computation
Molecular Computation (MC) is massively parallel computation where data is stored and processed within objects of molecular size. Biomolecular Computation (BMC) is MC using biotec...
John H. Reif
FPL
2007
Springer
150views Hardware» more  FPL 2007»
14 years 1 months ago
Discrete Event Simulation of Molecular Dynamics with Configurable Logic
: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretized ...
Josh Model, Martin C. Herbordt
CCE
2005
13 years 9 months ago
Computer-aided molecular design using Tabu search
A detailed implementation of the Tabu Search (TS) algorithm for computer-aided molecular design (CAMD) of transition metal catalysts is presented in this paper. Previous CAMD rese...
Bao Lin, Sunitha Chavali, Kyle V. Camarda, David C...
NAR
2000
172views more  NAR 2000»
13 years 9 months ago
The Molecular Biology Database Collection: an online compilation of relevant database resources
The Molecular Biology Database Collection represents an effort geared at making molecular biology database resources more accessible to biologists. This online resource, available...
Andreas D. Baxevanis