CANDC
2005
ACM
13 years 4 months ago
2005
ACM
High throughput virtual screening is acknowledged as the initial means for identifying hit compounds that will be eventually transformed to leads or drug candidates. To improve qu...
OWLED
2007
13 years 6 months ago
2007
Functional groups describe the semantics of chemical reactivity in terms of atoms and their connectivity, which exhibit characteristic chemical behavior when present in a compound....
GECCO
2000
Springer
13 years 8 months ago
2000
Springer
We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...
RECOMB
2005
Springer
14 years 4 months ago
2005
Springer
Background: Most cellular processes are carried out by multi-protein complexes, groups of proteins that bind together to perform a specific task. Some proteins form stable complex...