This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …

Artificial intelligence (AI) is a branch of computer science that allows machines to work
efficiently, can analyze complex data. The research focused on AI has increased …

The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

Biodiesel is substantially found to reduce carbon dioxides, hazardous particulate matter but
increasing anthropogenic nitrogen oxides (NO x) emissions. Fuel blending with alcohol …

Solvents are widely used in chemical industries, especially in various separation processes.
As traditional trial-and-error solvent selection is time-consuming and expensive, model …

This paper aims to provide an overview of the current state of the art in molecule and
material design and a perspective on open questions. First, we discuss the interplay …

Artificial intelligence (AI) is a field of computer science that involves acquiring information,
developing rule bases, and mimicking human behaviour. The fundamental concept behind …

Solution crystallization is an important separation unit operation in active pharmaceutical
ingredient production. Solvent is one of the important factors affecting crystal morphology …

Solvent selection is a crucial decision in many high value-added chemical manufacturing
processes. Computational approaches for solvent selection may substantially reduce the …

The pharmaceutical industry needs design tools to identify greener and more resource-
efficient process routes. Current model-based solvent selection methodologies often focus …