comp-chem

Pattern of molecular models arranged on a light purple background.

Computational Chemistry and Data Science Approaches for Pharmaceutical Development

Molecular Modeling & Data Science at J-STAR Research and Porton USA

With advances in computational materials science and process simulation, computational applications are becoming integral part of the drug development and manufacturing workflow.[1][2] These computational methods facilitate easier navigation through

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Scatterplot chart displaying various data points with labels and a legend on the right. Axes represent "Max A-E 3,6" and "Max E 5-15." Each point is marked with an abbreviation.

Predicting Molecular Properties via Computational Chemistry

Predicting Molecular Properties via Computational Chemistry

Computational Chemistry is a growing field intersecting with nearly all disciplines of chemistry, as its ability to accurately model and predict chemical reactivity, molecular structures and properties is crucial to modern molecular design and

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