Artificial intelligence in drug discovery and development
KK Mak, YH Wong, MR Pichika - Drug Discovery and Evaluation: Safety …, 2023 - Springer
This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …
discovery and development, encapsulating its potentials, methodologies, real-world …
Artificial intelligence in pharmaceutical and healthcare research
SK Bhattamisra, P Banerjee, P Gupta… - Big Data and Cognitive …, 2023 - mdpi.com
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 …
efficiently, can analyze complex data. The research focused on AI has increased …
Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …
often the key to considerable scientific advances and improved process systems …
Reducing diesel exhaust emissions by optimisation of alcohol oxygenates blend with diesel/biodiesel
Biodiesel is substantially found to reduce carbon dioxides, hazardous particulate matter but
increasing anthropogenic nitrogen oxides (NO x) emissions. Fuel blending with alcohol …
increasing anthropogenic nitrogen oxides (NO x) emissions. Fuel blending with alcohol …
Computer-aided molecular design of solvents for chemical separation processes
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 …
As traditional trial-and-error solvent selection is time-consuming and expensive, model …
Process systems engineering perspective on the design of materials and molecules
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 …
material design and a perspective on open questions. First, we discuss the interplay …
Application of artificial intelligence in drug design: A review
Artificial intelligence (AI) is a field of computer science that involves acquiring information,
developing rule bases, and mimicking human behaviour. The fundamental concept behind …
developing rule bases, and mimicking human behaviour. The fundamental concept behind …
Crystallization solvent design based on a new quantitative prediction model of crystal morphology
S Chai, E Li, L Zhang, J Du, Q Meng - AIChE Journal, 2022 - Wiley Online Library
Solution crystallization is an important separation unit operation in active pharmaceutical
ingredient production. Solvent is one of the important factors affecting crystal morphology …
ingredient production. Solvent is one of the important factors affecting crystal morphology …
Simultaneous solvent selection and process design for continuous reaction–extraction–crystallization systems
NP Mendis, J Wang, R Lakerveld - Industrial & Engineering …, 2022 - ACS Publications
Solvent selection is a crucial decision in many high value-added chemical manufacturing
processes. Computational approaches for solvent selection may substantially reduce the …
processes. Computational approaches for solvent selection may substantially reduce the …
[HTML][HTML] Model-based solvent selection for the synthesis and crystallisation of pharmaceutical compounds
MH Muhieddine, SK Viswanath, A Armstrong… - Chemical Engineering …, 2022 - Elsevier
The pharmaceutical industry needs design tools to identify greener and more resource-
efficient process routes. Current model-based solvent selection methodologies often focus …
efficient process routes. Current model-based solvent selection methodologies often focus …