OpenADMET: Response to Pat Walters

Pat Walters responded to my post on the OpenADMET initiative and I am responding to his post. As is normal for posts here my responses are italicised in red and enclosed in square brackets. Many thanks, Pat for taking the time to respond to my comments.******************************** A recent post on the Molecular Design blog by Peter Kenny critiques the OpenADMET initiative. While constructive debate is essential for open science, the post contains several fundamental misconceptions about the roles of machine learning, structural biology, and ADMET optimization in modern drug discovery that need clarification.Peter,While I appreciate your advocacy for Open Science and your pragmatic view on the complexity of human biology, your critique of the OpenADMET initiative relies on several fundamental mischaracterizations of how modern computational chemistry operates and what the initiative actually aims to achieve.Here are the key areas where your arguments fall short:1. Dismissing ML…