7 search results - page 1 / 2 » Molecular Fragment Mining for Drug Discovery |
ECSQARU
2005
Springer
13 years 10 months ago
2005
Springer
The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving t...
ICDM
2002
IEEE
13 years 10 months ago
2002
IEEE
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...
IDA
2003
Springer
13 years 10 months ago
2003
Springer
The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving t...
AMINING
2003
Springer
13 years 10 months ago
2003
Springer
Active responses from experts play an essential role in the knowledge discovery of SAR (structure activity relationships) from drug data. Experts often think of hypotheses, and the...
EDBT
2012
ACM
11 years 7 months ago
2012
ACM
Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...