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Machine Learning

Section: Biopharma Insights     View all sections


[Interview] Using Generative AI to Rapidly Identify Novel Therapies for COVID-19

   by Andrii Buvailo    528
[Interview] Using Generative AI to Rapidly Identify Novel Therapies for COVID-19

Generative models have become one of the hottest areas in de-novo molecular design over just several years, basically revolutionizing our perception of what can be done with artificial intelligence in this area. One important aspect of generative models is that they can produce new quality hit molecules using combined data from various experimental and theoretical sources -- and output results rapidly. 

One notable drug discovery startup betting on deep learning and generative models for innovative drug design is Vancouver-based Variational AI.

AI For Commercial Life Sciences: 3 Trends You Can’t Ignore In 2020

   by Rasim Shah    404
AI For Commercial Life Sciences: 3 Trends You Can’t Ignore In 2020

As we enter a new decade, our belief in the the impact of Artificial intelligence (AI) is only getting stronger. Supporting the industry to drive the right drug to the right patient at speed is a huge responsibility that we take very seriously. Towards the end of the last decade we have seen great progress made within life sciences and the use of AI, but moving into 2020 the spotlight on commercial teams and gaining competitive advantage with AI will intensify.

[Interview] The Rise of Quantum Physics in Drug Discovery

   by Andrii Buvailo    3019
[Interview] The Rise of Quantum Physics in Drug Discovery

Computer-aided drug design (CADD) is a central part of so-called “rational drug design”, pioneered in the last century by companies like Vertex. Over the last decades, CADD had great influence on the way new therapeutics are discovered, however, it also showed limitations due to modest accuracy of computational tools.  

The majority of software tools used for computational chemistry and biology rely on molecular mechanics -- a simplified representation of molecules, essentially reducing them down to “balls and sticks”: atoms and bonds between them. In this way it is easier to compute, but accuracy suffers greatly.

In order to gain adequate accuracy, one has to account for the electronic behavior of atoms and molecules, i.e. consider subatomic particles -- electrons and protons. This is what quantum mechanical (QM) methods are all about -- and the theory is not new, dating back to the early decades of the 20th century.  

Current State of AI in Pharma: Key Achievements Beyond Hype

   by Andrii Buvailo    4020
Current State of AI in Pharma: Key Achievements Beyond Hype

/Last update -- 24 Dec 2019/

A background context -- opportunities and challenges

Current widespread interest towards artificial intelligence (AI) and its numerous research and commercial successes was largely catalyzed by several landmark breakthroughs in 2012, when researchers at the University of Toronto achieved unprecedented improvement in the image classification challenge ImageNet, using their deep neural network “AlexNet” running on graphics processing units (GPUs), and when that same year Google’s deep neural network managed to identify a cat from millions of unlabeled Youtube videos, representing a conceptual step in unsupervised machine learning.

[Interview] Applying AI To Shape Business Strategies At European Pharma Organizations

   by Andrii Buvailo    977
[Interview] Applying AI To Shape Business Strategies At European Pharma Organizations

The application of artificial intelligence (AI) in the pharmaceutical industry has become a long-term strategic priority for most companies. However, the efficiency of this endeavor depends greatly on the availability of large volumes of properly curated quality data, which is not always the case.

While pharma organizations generate huge volumes of data across all stages of drug discovery, development, and commercialization, not all types of data are equally useful for building efficient machine learning (ML) pipelines. For instance, it is relatively easier to apply AI-tech to consumer-related business processes, where lots of well-understood and properly labeled data is available, than it is for basic research tasks, where data is complex, often poorly labeled and extremely domain-specific.

The above situation leads to a faster pace of progress with AI application in such areas as financial analysis, consumer-behavior prediction, patient classification, marketing, and so on.

One of the important hurdles that pharma companies are trying to solve using AI tech is brand management. Indeed, understanding peculiar features of various patient categories, their purchasing behaviors, reactions to different products, revealing possible risks and side-effects for each class -- those things become essential for pharma companies to be able to develop and implement truly patient-centric brand management strategies. Luckily, this is one of the most fruitful areas for the application of machine learning (especially deep learning) models.

To get a better understanding of how it can be done, I have asked several questions to Agnieszka Wolk, Senior Director, Data Science, IQVIA, who recently presented this topic at the PMSA 2019 European Summit in Basel, Switzerland. .