Based on physicochemical technologies, different methods have been developed to degrade lignin and destroy the crystal structure of cellulose in ligno-cellulosic substrates, such as microwave, ionizing radiation, steam explosion, acid or alkali dilution, and oxidation or a variety of their combinations [ 5].
Therefore, the current research aims to derive highly correlation models, which explain the relationship between the anticancer activity, and the structure of twenty-five compounds based on physicochemical descriptors using several chemometric methods such as genetic function algorithm GFA, multiple linear regression MLR.
The present study aims to derive QSAR models, which explain the relationship between the anti-cancer activity and the structure of 34 compounds based on physicochemical descriptors using several chemometric methods such as genetic functional algorithm for variable selection GFA, multiple linear regression MLR and non-linear regression MNLR for modeling and William's plot for applicability domain.
Proteomic approaches for selecting a purification method based on physicochemical properties, and optimisation of operating conditions using mathematical modelling have been described previously [ 86].
Finally, it will be interesting to combine the MCS-based similarity measure and the hybrid vectorization method with similarity measures based on physicochemical property descriptors.
In comparison, our method, which is based on physicochemical descriptors of known active compounds, has the advantage of being able to select novel structural scaffolds since the physicochemical properties are not directly tied to any specific chemical scaffold.
Almost all methods have shown overall accuracies higher than 85% instead of 80.8% for models based on physicochemical parameters.
based on physicochemical and 3D similarity studies.
Can we control assembly and disassembly using modulators based on physicochemical principles?
Briefly, the structure-based druggability assessment identifies all cavities on a given three-dimensional structure and assesses their likely druggability based on physicochemical parameters that are independent of the homology of the protein to known drug targets.
