292 citations · 409 across the 5 of their papers we have counts for
3 papers · 1 filter
Predicting the Future of AI with AI: High-quality link prediction in an exponentially growing knowledge network
Mario Krenn, Lorenzo Buffoni, Bruno Coutinho +13
A tool that could suggest new personalized research directions and ideas by taking insights from the scientific literature could significantly accelerate the progress of science. A…
LIMO: Latent Inceptionism for Targeted Molecule Generation
Peter Eckmann, Kunyang Sun, Bo Zhao +3
Generation of drug-like molecules with high binding affinity to target proteins remains a difficult and resource-intensive task in drug discovery. Existing approaches primarily emp…
SELFIES and the future of molecular string representations
Mario Krenn, Qianxiang Ai, Senja Barthel +28
Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include…