PMID- 30294895
OWN - NLM
STAT- MEDLINE
DCOM- 20190909
LR  - 20231012
IS  - 1520-6033 (Electronic)
IS  - 8756-7938 (Print)
IS  - 1520-6033 (Linking)
VI  - 34
IP  - 6
DP  - 2018 Nov
TI  - Data-driven multi-objective optimization via grid compatible simplex technique 
      and desirability approach for challenging high throughput chromatography 
      applications.
PG  - 1393-1406
LID - 10.1002/btpr.2673 [doi]
AB  - Recently, a grid compatible Simplex variant has been demonstrated to identify 
      optima consistently and rapidly in challenging high throughput (HT) applications 
      in early bioprocess development. Here, this method is extended by deploying it to 
      multi-objective optimization problems. Three HT chromatography case studies are 
      presented, each posing challenging early development situations and including 
      three responses which were amalgamated by the adoption of the desirability 
      approach. The suitability of a design of experiments (DoE) methodology per case 
      study, using regression analysis in addition to the desirability approach, was 
      evaluated for a large number of weights and in the presence of stringent and 
      lenient performance requirements. Despite the adoption of high-order models, this 
      approach had low success in identification of the optimal conditions. For the 
      deployment of the Simplex approach, the deterministic specification of the 
      weights of the merged responses was avoided by including them as inputs in the 
      formulated multi-objective optimization problem, facilitating this way the 
      decision making process. This, and the ability of the Simplex method to locate 
      optima, rendered the presented approach highly successful in delivering rapidly 
      operating conditions, which belonged to the Pareto set and offered a superior and 
      balanced performance across all outputs compared to alternatives. Moreover, its 
      performance was relatively independent of the starting conditions and required 
      sub-minute computations despite its higher order mathematical functionality 
      compared to DoE techniques. These evidences support the suitability of the grid 
      compatible Simplex method for early bioprocess development studies involving 
      complex data trends over multiple responses. (c) 2018 The Authors Biotechnology 
      Progress published by Wiley Periodicals, Inc. on behalf of American Institute of 
      Chemical Engineers Biotechnol. Prog., 34:1393-1406, 2018.
CI  - (c) 2018 The Authors. Biotechnology Progress published by Wiley Periodicals, Inc. 
      on behalf of American Institute of Chemical Engineers.
FAU - Konstantinidis, Spyridon
AU  - Konstantinidis S
AUID- ORCID: 0000-0001-7227-5853
AD  - Dept. of Biochemical Engineering, The Advanced Centre for Biochemical 
      Engineering, University College London, London, U.K.
FAU - Welsh, John P
AU  - Welsh JP
AD  - Biologics Process Research and Development, Merck & Co., Inc., Kenilworth, NJ, 
      USA.
FAU - Titchener-Hooker, Nigel J
AU  - Titchener-Hooker NJ
AD  - Dept. of Biochemical Engineering, The Advanced Centre for Biochemical 
      Engineering, University College London, London, U.K.
FAU - Roush, David J
AU  - Roush DJ
AD  - Biologics Process Research and Development, Merck & Co., Inc., Kenilworth, NJ, 
      USA.
FAU - Velayudhan, Ajoy
AU  - Velayudhan A
AD  - Dept. of Biochemical Engineering, The Advanced Centre for Biochemical 
      Engineering, University College London, London, U.K.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20181009
PL  - United States
TA  - Biotechnol Prog
JT  - Biotechnology progress
JID - 8506292
SB  - IM
MH  - *Algorithms
MH  - Biotechnology/*methods
MH  - Chromatography/*methods
MH  - High-Throughput Screening Assays
PMC - PMC6585819
OTO - NOTNLM
OT  - Pareto front
OT  - Simplex optimization
OT  - chromatography
OT  - design of experiments
OT  - desirability
OT  - high throughput bioprocess development
OT  - multi-objective optimization
COIS- The authors declare no financial or commercial conflict of interest.
EDAT- 2018/10/09 06:00
MHDA- 2019/09/10 06:00
PMCR- 2019/06/20
CRDT- 2018/10/09 06:00
PHST- 2018/02/12 00:00 [received]
PHST- 2018/05/26 00:00 [revised]
PHST- 2018/10/09 06:00 [pubmed]
PHST- 2019/09/10 06:00 [medline]
PHST- 2018/10/09 06:00 [entrez]
PHST- 2019/06/20 00:00 [pmc-release]
AID - BTPR2673 [pii]
AID - 10.1002/btpr.2673 [doi]
PST - ppublish
SO  - Biotechnol Prog. 2018 Nov;34(6):1393-1406. doi: 10.1002/btpr.2673. Epub 2018 Oct 
      9.