AIMC Topic: Drug Industry

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Making the Case for Quantum Mechanics in Predictive Toxicology─Nearly 100 Years Too Late?

Chemical research in toxicology
The use of quantum mechanics (QM) has long been the norm to study covalent-binding phenomena in chemistry and biochemistry. The pharmaceutical industry leverages QM models explicitly in covalent drug discovery and implicitly to characterize short-ran...

SAr Regioselectivity Predictions: Machine Learning Triggering DFT Reaction Modeling through Statistical Threshold.

Journal of chemical information and modeling
Fast and accurate prospective predictions of regioselectivity can significantly reduce the time and resources spent on unproductive transformations in the pharmaceutical industry. Density functional theory (DFT) reaction modeling through transition s...

Adapting artificial intelligence into the evolution of pharmaceutical sciences and publishing: Technological darwinism.

Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques

What place for intelligent automation and artificial intelligence to preserve and strengthen vigilance expertise in the face of increasing declarations?

Therapie
In 2018, the "Ateliers de Giens" (Giens Workshops) devoted a workshop to artificial intelligence (AI) and led its experts to confirm the potential contribution and theoretical benefit of AI in clinical research, pharmacovigilance, and in improving th...

Reliable stability prediction to manage research or marketed vaccines and pharmaceutical products. "Avoid any doubt for the end-user of vaccine compliance at time of administration".

International journal of pharmaceutics
A major challenge for the pharmaceutical/vaccine industry is to anticipate and test/control product stability, regardless of the time/temperature profile of the product, from release to administration. Current empirical stability protocols performed ...

Advancing pharmacy and healthcare with virtual digital technologies.

Advanced drug delivery reviews
Digitalisation of the healthcare sector promises to revolutionise patient healthcare globally. From the different technologies, virtual tools including artificial intelligence, blockchain, virtual, and augmented reality, to name but a few, are provid...

Machine learning and deep learning in data-driven decision making of drug discovery and challenges in high-quality data acquisition in the pharmaceutical industry.

Future medicinal chemistry
Predicting novel small molecule bioactivities for the target deconvolution, hit-to-lead optimization in drug discovery research, requires molecular representation. Previous reports have demonstrated that machine learning (ML) and deep learning (DL) h...

Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries.

Molecular diversity
The global spread of COVID-19 has raised the importance of pharmaceutical drug development as intractable and hot research. Developing new drug molecules to overcome any disease is a costly and lengthy process, but the process continues uninterrupted...

Big Techs and startups in pharmaceutical R&D - A 2020 perspective on artificial intelligence.

Drug discovery today
We investigated what kind of artificial intelligence (AI) technologies are utilized in pharmaceutical research and development (R&D) and which sources of AI-related competencies can be leveraged by pharmaceutical companies. First, we found that machi...

Industry 4.0 for pharmaceutical manufacturing: Preparing for the smart factories of the future.

International journal of pharmaceutics
Over the last two centuries, medicines have evolved from crude herbal and botanical preparations into more complex manufacturing of sophisticated drug products and dosage forms. Along with the evolution of medicines, the manufacturing practices for t...