Ontology highlight
ABSTRACT:
SUBMITTER: Kumar A
PROVIDER: S-EPMC5766603 | biostudies-literature | 2018 Jan
REPOSITORIES: biostudies-literature
Kumar Akhil A Wang Lin L Ng Chiam Yu CY Maranas Costas D CD
Nature communications 20180112 1
Existing retrosynthesis tools generally traverse production routes from a source to a sink metabolite using known enzymes or de novo steps. Generally, important considerations such as blending known transformations with putative steps, complexity of pathway topology, mass conservation, cofactor balance, thermodynamic feasibility, microbial chassis selection, and cost are largely dealt with in a posteriori fashion. The computational procedure we present here designs bioconversion routes while sim ...[more]