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Small Molecules

How AI Is Applied To Metabolomics To Identify New Targets And Drugs

   by Andrii Buvailo    2869

The team at MIT created the most comprehensive database of metabolites, their interactions with proteins, protein-protein interactions, drug-protein interactions, and associations of metabolites with diseases. They then use the obtained interactions map to make inferences about the disease mechanisms and novel targets. With this new technology, the team launched a biotech startup ReviveMed in 2016 having raised $1.5M of funding so far.

Top 7 Trends In Pharmaceutical Research In 2018

   by Andrii Buvailo, Alfred Ajami    25004
Top 7 Trends In Pharmaceutical Research In 2018

Being under ever-increasing pressure to compete in a challenging economic and technological environment, pharmaceutical and biotech companies must continually innovate in their R&D programmes to stay ahead of the game.

External innovations come in different forms and originate in different places -- from university labs, to privately held venture capital-backed startups and contract research organizations (CROs). Let’s get to reviewing some of the most influential research trends which will be “hot” in 2018 and beyond, and summarize some of the key players driving innovations.

2018 Brings A Surge Of Activity In The “AI For Drug Discovery” Space

   by Andrii Buvailo    6743

(Last updated: 15.03.2018)

The idea of using artificial intelligence (AI) to accelerate drug discovery process and boost a success rate of pharmaceutical research programs has inspired a notable amount of activity over the last several years with a considerable number of initiated research collaborations between AI-driven R&D vendors and top pharmaceutical companies in 2016-2017.

(For a detailed review of the topic, read Biopharma’s Hunt For Artificial Intelligence: Who Does What?).

A busy beginning of 2018 shows that the area is getting even “hotter” and things start unfolding faster in the emerging “AI for drug discovery” space. Below is a brief summary of some of the most notable events of this year so far:  

Network Driven Drug Discovery Using AI

   by Andrii Buvailo    2658

“One-target-one-disease” paradigm has been around for decades, prompting numerous drug discovery programs focusing on identifying small molecules for targeting only one specific protein (or other targets) believed to be responsible for the disease mechanism.

[White paper] High Throughput Quantum Chemistry for Drug Discovery - Towards Reaction Screening

   by Peter Jarowski    3166

In the domain of drug discovery, there can be a world of difference between a computer-generated hit compound, which is predicted to bind well to a drug target and what can be reliably synthesized at scale, or indeed synthesized at all. This discrepancy has been a lingering point of discord between the Discovery and R&D efforts in the chemical industry. Computer-aided drug design (CADD) has become an increasingly valuable tool by providing essential screening data and unique insight into drug action and mechanism, but it does not model the more complex world of chemical reactivity and synthetic chemistry.