Nicolas Do Huu

For early-stage drug discovery projects, having structural information on a target of interest can be crucial for project development…

The drug discovery and development process is notably complex and iterative, and therefore time-consuming and expensive. It follows the Design-Make-Test-Analyze (DMTA) iterative cycle to optimize the pharmacological and drug-like properties of potential drug candidates…

AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…

Use of artificial intelligence (AI) in chemistry has the potential for a transformative impact on the field of drug design and discovery…

AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…

: [COMP] Division of Computers in Chemistry

AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…

: [COMP] Division of Computers in Chemistry

AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…

Use of artificial intelligence (AI) in chemistry has the potential for a transformative impact on the field of drug design and discovery…

Hit discovery is often the first and most critical step in a drug discovery campaign upon target identification and characterization…

Generative artificial intelligence (AI) is growing in prevalence in our day to day lives, from ChatGPT to DALL-E, AI algorithms are shaping how we think about content creation…

Computer-aided synthesis planning (CASP) tools have improved in quality significantly over the past few years and have seen an increase in usage across a variety of disciplines…