Drug Discovery

Solutions to accelerate
the initial stage
of drug discovery

For efficient Drug Discovery

AI-driven
Drug Discovery Acceleration Solution

Suggest the best way to accelerate each drug discovery stage
by combining biological and chemical elements with AI.

Target Identification

Hit Discovery

Lead Optimization

Synthesis Planning

Accelerate the early stages of drug discovery

WHY IS IT IMPORTANT

Discovering a new drug takes about 10-years and 1 billion dollars in average. Thus, it is almost impossible to even start the process without a huge amount of funding and facility. Even though the conditions are met, it’s not promised to produce successful outcomes.

There have been several attempts to shorten the development cycle to overcome the existing problems through implementation of artificial intelligence into drug discovery, but the lack of data and inappropriate AI algorithms cause degradation of performance, which is the limitation.

What We Do

Streamlining the process of
discovering
candidate
substances with
the most
suitable solutions for each
new drug discovery process.

Drug Discovery solution by AITRICS reduces the time and the cost in
the early stage of exploring the candidate substances through deep
understanding of toxicity of the drug and the cost of synthesis.

We improve reliability issues arising from data shortages through
Bayesian Statistical Analysis and incorporate chemical and biological
expertise in AI technology to enable more rational virtual exploration.

Target and MoA Discovery

Protein-Ligand Interaction Prediction

ADME/T Validation

Compound synthesis route and cost estimation

How It Works

FEATURE - 01

Improve Accuracy and Reliability

Papers

Seongok Ryu et. al, "A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification" Chemical Science 36 (2019)

Doyeong Hwang et. al., "A benchmark study on reliable molecular supervised learning via Bayesian learning" ICML UDL workshop (2020)

FEATURE - 02

Designing molecules by imitating medicinal chemists’ rationale

FEATURE - 03

Improving Accuracy through Synergy between Chemistry and AI

FEATURE - 04

The efficient way to Synthesize Experimental Candidates

Learn more about
Drug Discovery Solution