37 search results - page 1 / 8 » Active Learning in the Drug Discovery Process |
NIPS
2001
13 years 6 months ago
2001
We investigate the following data mining problem from Computational Chemistry: From a large data set of compounds, find those that bind to a target molecule in as few iterations o...
ML
1998
ACM
13 years 4 months ago
1998
ACM
This paper is a case study of a machine aided knowledge discovery process within the general area of drug design. More speci cally, the paper describes a sequence of experiments in...
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...
DIS
2006
Springer
13 years 8 months ago
2006
Springer
Abstract. To the best of our knowledge, this paper is the first attempt to formalise a pragmatic logic of scientific discovery in a manner such that it can be realised by scientist...
TEC
2008
13 years 4 months ago
2008
Abstract-- This article describes the Candidate Design Environment we developed for efficient identification of promising drug candidates. Developing effective drugs from active mo...