Area of research
Computational Theory and Mathematics · Environmental Chemistry
Research interest
Research interests include Computational Drug Discovery Methods, Chemistry and Chemical Engineering, Ionic liquids properties and applications, and Process Optimization and Integration.
Mixture formulation through multivariate statistical analysis of process data in property cluster space
Reverse Design of Ionic Liquids for the Absorption of CO2
Evolutionary algorithm for de novo molecular design with multi-dimensional constraints
Multivariate characterization, modeling, and design of ionic liquid molecules
Data Mining and Regression Algorithms for the Development of a QSPR Model Relating Solvent Structure and Ibuprofen Crystal Morphology
Evolutionary Algorithm for De Novo Molecular Design Considering Multi-Dimensional Constraints
De Novo Molecular Design using a Graph-Based Genetic Algorithm Approach
Development of QSPR Model Relating Solvent Structure to Crystal Morphology
Characterization Based Reverse Design of Ionic Liquids
Graph-Based Genetic Algorithm for De Novo Molecular Design
Design of Ionic Liquids Using Property Clustering and Decomposition Techniques
Structure Based Design of Non-Peptide Mimetics
Molecular Design using Three-Dimensional Signature Descriptors
Incorporating Topographical Characteristics in Molecular Signature Descriptors