AI in Drug Discovery - A Highly Opinionated Literature Review (Part II)
Practical Cheminformatics,
Picking up where we left off in Part I, this post covers several other ML in drug discovery topics that interested me in 2023. …
Using Counterfactuals to Understand Machine Learning Models
Practical Cheminformatics,
While machine learning (ML) models have become integral to many drug discovery efforts, most of these models are "black boxes…
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Computational Chemistry Daily,
jcheminf.biomedcentral.com - We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium…
AI in Drug Discovery 2020 - A Highly Opinionated Literature Review
Practical Cheminformatics,
In this post, I present an annotated bibliography of some of the interesting machine learning papers I read in 2020. Please…