title: ReactPRED: a tool to predict and analyze biochemical reactions.
abstract: Biochemical pathways engineering is often used to synthesize or degrade target chemicals. In silico screening of the biochemical transformation space allows predicting feasible reactions, constituting these pathways. Current enabling tools are customized to predict reactions based on pre-defined biochemical transformations or reaction rule sets. Reaction rule sets are usually curated manually and tailored to specific applications. They are not exhaustive. In addition, current systems are incapable of regulating and refining data with an aim to tune specificity and sensitivity. A robust and flexible tool that allows automated reaction rule set creation along with regulated pathway prediction and analyses is a need. ReactPRED aims to address the same.
  
  
  
  ReactPRED is an open source flexible and customizable tool enabling users to predict biochemical reactions and pathways. The tool allows automated reaction rule creation from a user defined reaction set. Additionally, reaction rule degree and rule tolerance features allow refinement of predicted data. It is available as a flexible graphical user interface and a console application.
  
  
  
  ReactPRED is available at: https://sourceforge.net/projects/reactpred/ CONTACT: anirban.b@samsung.com or ty76.kim@samsung.comSupplementary information: Supplementary data are available at Bioinformatics online.
authors.affiliation: Bioinformatics Lab, Samsung Advanced Institute of Technology, Bangalore 560037, India.
authors.forename: Tadi Venkata
authors.initials: TV
authors.lastname: Sivakumar
authors.affiliation: Bioinformatics Lab, Samsung Advanced Institute of Technology, Bangalore 560037, India.
authors.forename: Varun
authors.initials: V
authors.lastname: Giri
authors.affiliation: Biomaterials Lab, Materials Center, Samsung Advanced Institute of Technology, Gyeonggi-Do 443803, Korea.
authors.forename: Jin Hwan
authors.initials: JH
authors.lastname: Park
authors.affiliation: Biomaterials Lab, Materials Center, Samsung Advanced Institute of Technology, Gyeonggi-Do 443803, Korea.
authors.forename: Tae Yong
authors.initials: TY
authors.lastname: Kim
authors.affiliation: Bioinformatics Lab, Samsung Advanced Institute of Technology, Bangalore 560037, India.
authors.forename: Anirban
authors.initials: A
authors.lastname: Bhaduri
mesh_terms: D000465:Algorithms; D001671:Biochemistry; D003198:Computer Simulation; D012984:Software