TY - JOUR
T1 - Microbial pathway prediction
T2 - A functional group approach
AU - Hou, Bo Kyeng
AU - Wackett, Lawrence P.
AU - Ellis, Lynda B.M.
PY - 2003/5
Y1 - 2003/5
N2 - We have developed a system to predict microbial catabolism, using the University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD, http://umbbd.ahc.umn.edu/) as a knowledge base. The present system, available on the Web (http://umbbd.ahc.umn.edu/predict/), can predict biodegradation of most of the major aliphatic and aromatic organic functional groups containing C, H, N, O, and halogens. It can duplicate at least one known biodegradation pathway for 60% of the compounds in a 84-member validation set; most pathways that did not completely duplicate known metabolism could plausibly occur in nature. Users are encouraged, and have begun, to submit additional biotransformation rules and comment on existing rules; the system will further develop under the direction of the scientific community.
AB - We have developed a system to predict microbial catabolism, using the University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD, http://umbbd.ahc.umn.edu/) as a knowledge base. The present system, available on the Web (http://umbbd.ahc.umn.edu/predict/), can predict biodegradation of most of the major aliphatic and aromatic organic functional groups containing C, H, N, O, and halogens. It can duplicate at least one known biodegradation pathway for 60% of the compounds in a 84-member validation set; most pathways that did not completely duplicate known metabolism could plausibly occur in nature. Users are encouraged, and have begun, to submit additional biotransformation rules and comment on existing rules; the system will further develop under the direction of the scientific community.
UR - http://www.scopus.com/inward/record.url?scp=0037498035&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037498035&partnerID=8YFLogxK
U2 - 10.1021/ci034018f
DO - 10.1021/ci034018f
M3 - Article
C2 - 12767164
AN - SCOPUS:0037498035
SN - 0095-2338
VL - 43
SP - 1051
EP - 1057
JO - Journal of chemical information and computer sciences
JF - Journal of chemical information and computer sciences
IS - 3
ER -