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CSB
2005
IEEE
120views Bioinformatics» more  CSB 2005»
14 years 10 days ago
Chemical Structure-Activity Relationship Visualization Using Structure Activity Maps
This study shows an effective way to explore and visualize the structure-activity relationships (SARs) of flavonoids with antioxidant activity using structure- activity maps (SAMs...
Weiguo Fan, Xin Lin, Yu-Wei Hsieh, Johnnie W. Bake...
ICPR
2008
IEEE
14 years 1 months ago
A study of on-line handwritten chemical expressions recognition
In this paper, we study the major modules of on-line handwritten chemical expressions recognition. We propose a novel two-level algorithm to recognize expressions. In the first le...
Jufeng Yang, Guangshun Shi, Kai Wang, Qian Geng, Q...
GECCO
2007
Springer
180views Optimization» more  GECCO 2007»
14 years 27 days ago
Towards the coevolution of cellular automata controllers for chemical computing with the B-Z reaction
We propose that the behaviour of non-linear media can be controlled automatically through coevolutionary systems. By extension, forms of unconventional computing, i.e., massively ...
Christopher Stone, Rita Toth, Andrew Adamatzky, Be...
MLDM
2007
Springer
14 years 26 days ago
Discovering Plausible Explanations of Carcinogenecity in Chemical Compounds
Abstract. The goal of predictive toxicology is the automatic construction of carcinogenecity models. Most common artificial intelligence techniques used to construct these models ...
Eva Armengol
SC
1993
ACM
13 years 10 months ago
Scientific visualization of chemical systems
Within the past few years, computer graphics has played a decisive role in transforming the field of molecular modeling into an intemaiional industry. While computer scientists ar...
Richard E. Gillilan, Bruce R. Land