SCI AI SOC MED AB ABU SAMEER The 20% Gap: How AI Benchmarks in Drug Discovery Are Systematically Overstated — And How to Fix It. An empirical audit of Tox21 MoleculeNet baselines reveals a critical evaluation flaw that affects nearly every published model comparison.
SCI HUM AI TCH AB ABU SAMEER Teaching a 7B LLM to Speak Chemistry: How I Built an RDKit-Guided Topological State Machine for… Why every language model fails at molecules — and how constrained decoding + RDKit-in-the-loop fixes it completely.
