A novel algorithm for molecular synthesis using enhanced property operators. - Nishanth G. Chemmangattuvalappil; Fadwa T. Eljack; Charles C. Solvason; Mario R. Eden (Comput. Chem. Eng., 2009)

A systematic method for integrating product attributes within molecular synthesis. - Charles C. Solvason; Nishanth G. Chemmangattuvalappil; Mario R. Eden (Comput. Chem. Eng., 2009)

Simultaneous solution of process and molecular design problems using an algebraic approach. - Susilpa Bommareddy; Nishanth G. Chemmangattuvalappil; Charles C. Solvason; Mario R. Eden (Comput. Chem. Eng., 2010)

Combined property clustering and GC+ techniques for process and product design. - Nishanth G. Chemmangattuvalappil; Charles C. Solvason; Susilpa Bommareddy; Mario R. Eden (Comput. Chem. Eng., 2010)

Reverse problem formulation approach to molecular design using property operators based on signature descriptors. - Nishanth G. Chemmangattuvalappil; Charles C. Solvason; Susilpa Bommareddy; Mario R. Eden (Comput. Chem. Eng., 2010)

An integer optimization algorithm for robust identification of non-linear gene regulatory networks. - Nishanth G. Chemmangattuvalappil; Keith Task; Ipsita Banerjee (BMC Syst. Biol., 2012)

A systematic methodology for optimal mixture design in an integrated biorefinery. - Lik Yin Ng; Viknesh Andiappan; Nishanth G. Chemmangattuvalappil; Denny Kok Sum Ng (Comput. Chem. Eng., 2015)

Challenges and opportunities in computer-aided molecular design. - Lik Yin Ng; Fah Keen Chong; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2015)

Robust chemical product design via fuzzy optimisation approach. - Lik Yin Ng; Nishanth G. Chemmangattuvalappil; Denny Kok Sum Ng (Comput. Chem. Eng., 2015)

A systematic visual methodology to design ionic liquids and ionic liquid mixtures: Green solvent alternative for carbon capture. - Fah Keen Chong; Fadwa T. Eljack; Mert Atilhan; Dominic C. Y. Foo; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2016)

Optimal molecular design towards an environmental friendly solvent recovery process. - Jecksin Ooi; Denny Kok Sum Ng; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2018)

Integration of Fuzzy Analytic Hierarchy Process into multi-objective Computer Aided Molecular Design. - Jecksin Ooi; Michael Angelo B. Promentilla; Raymond R. Tan; Denny Kok Sum Ng; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2018)

Design of bio-oil additives via computer-aided molecular design tools and phase stability analysis on final blends. - Angel Xin Yee Mah; Hon Huin Chin; Jie Qi Neoh; Omar Anas Aboagwa; Suchithra Thangalazhy-Gopakumar; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2019)

Design of fragrance molecules using computer-aided molecular design with machine learning. - Yee Jia Ooi; Krisya Nicole G. Aung; Jia Wen Chong; Raymond R. Tan; Kathleen B. Aviso; Nishanth G. Chemmangattuvalappil (Comput. Chem. Eng., 2022)

Optimal chemical reaction pathway for palm process residue recovery using Process Graph (P-graph) framework. - Seen Ye Lim; Nishanth G. Chemmangattuvalappil; John Frederick D. Tapia; Ianatul Khoiroh; Pui Vun Chai; Lik Yin Ng (Comput. Chem. Eng., 2025)