Determination of proton affinities and pKa values of small organic molecules
Calculate acidity and basicity of small drug molecules
Calculate acidity and basicity of small drug molecules
After the phase I/II, the sponsor is designing the phase III clinical trial of an antisense oligonucleotide in cancer patients.
Is it possible to develop a solid population pharmacokinetic model using phase I/II data to design a sparse sampling scheme for phase III clinical trials?
Nonlinear mixed-effects modeling was used to build the pharmacokinetic model with phase I/II data. An optimization algorithm was used to find the optimal sampling scheme.
Designing and searching effective drug molecules for various diseases
Calculate acidity and basicity of small drug molecules
In silico Quantitative Structure-Toxicity Relationship (QSTR) Model for Predicting Toxicity of Aromatic Aldehydes using Extended Topochemical Atom (ETA) Indices.
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