This year at #ODSCEast I’ll be speaking with 100+ other leaders in the data science community in Boston, USA, April 23rd - 25th Don’t miss out — learn more at odsc.com!

Machine Learning in Drug Discovery: How Not to Lie with Computational Models?

Delighted to receive Best Paper and Abstract awards from Risk Assessment, Biological Modelling, Computational Toxicology and Indian Association Speciality subsections at SOT2024 for our work on ML for cardiotoxicity DICTrank and MolToxNet! Learn more at broad.io/DICTrank_Predi…

I am at SOT2024 this week! Please do get in touch if you would like to meet!
#SocietyofToxicology #cheminformatics
#SOT2024

Small milestone! 100 citations 🥳

scholar.google.com/citations?user…

Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank
pubs.acs.org/doi/10.1021/ac…
@srijitseal.bsky.social 🇺🇲🇬🇧🇩🇪🇯🇵🇮🇳 Ola Spjuth Layla Hosseini-Gerami Miguel Garcia Ortegon Shantanu Singh Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺 Anne Carpenter, PhD
#JCIM Vol64 Issue4

** Understanding Biology in the Age of Artificial Intelligence **

arxiv.org/abs/2403.04106

Almost 2 years ago, a philosopher, a biologist, two chemists, and I met for dinners at Clare Hall

Its culminated in this paper bringing all our ideas together, and UBAI 2023

Our preprint on “Understanding Biology in the Age of Artificial Intelligence” is now live! Read more at arxiv.org/abs/2403.04106

Here, we explore the interplay between these models and scientific understanding in biology with implications for the future of scientific research.

@srijitseal.bsky.social 🇺🇲🇬🇧🇩🇪🇯🇵🇮🇳 Dark mode for this paper 🌚 synthical.com/abs/2403.04106…

Do machine learning models provide understanding in Biology?

Our new preprint UBAI 2023 applies recent work in the epistemology of understanding to two key application areas of ML in Biology to answer this question Chaitanya K. Joshi @srijitseal.bsky.social 🇺🇲🇬🇧🇩🇪🇯🇵🇮🇳 🧵

arxiv.org/abs/2403.04106

Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity #MachineLearning
pubs.acs.org/doi/10.1021/ac…
Robert Horne Faidon Brotzakis @srijitseal.bsky.social 🇺🇲🇬🇧🇩🇪🇯🇵🇮🇳 Andrea Possenti Vendruscolo Lab Cambridge Chemistry
#JCIM Vol64 Issue3 #ApplicationNote

.Weights & Biases really calling me out for spending valentine's day training my models