People in Cheminformatics

Researchers

• Chengpeng Wang

  Axiom

  Hepatology, Pharmacokinetics · 1 talk

  Latest talk · Oct 13, 2026

  LLM Agents for Liver Injury Risk Prediction and Medicinal Chemistry Decision Support

• Melissa O’Meara

  ACS Media Group

  Hepatology, Pharmacokinetics · 1 talk

  Latest talk · Oct 13, 2026

  LLM Agents for Liver Injury Risk Prediction and Medicinal Chemistry Decision Support

• Will Van Treuren

  Axiom

  Hepatology, Pharmacokinetics · 1 talk

  Latest talk · Oct 13, 2026

  LLM Agents for Liver Injury Risk Prediction and Medicinal Chemistry Decision Support

• René de Gelder

  Radboud University Nijmegen

  Crystallography, Crystal Engineering · 1 talk

  Latest talk · Oct 8, 2026

  Decoding Organic Multicomponent Crystals

• Albert Ros-Lucas

  Barcelona Institute for Global Health

  Drug Repurposing, Parasitology · 1 talk

  Latest talk · Oct 7, 2026

  Using AlphaFold protein models for structure-based virtual screening of chemical libraries

• Bowen Li

  University of Toronto

  Nanomedicine, Nanobiotechnology · 1 talk

  Latest talk · Sep 24, 2026

  AI-Driven Design of Lipid Nanoparticles for mRNA Delivery

• Rafael Rosengarten

  Pharmacology, Medicinal Chemistry · 4 podcast episodes

  Latest podcast episode · Aug 25, 2026

  What would you (and your AI) do with the world’s largest curated chemistry data catalog? | TPM podcast

• Tim Wahlberg

  Data Engineering, Informatics · 1 podcast episode

  Latest podcast episode · Aug 25, 2026

  What would you (and your AI) do with the world’s largest curated chemistry data catalog? | TPM podcast

• Alex Wiltschko

  Chemistry, Deep Learning · 1 podcast episode

  Latest podcast episode · Jul 8, 2026

  How AI Learns to Smell with Alex Wiltschko

• Sam Charrington

  Artificial Intelligence, Machine Learning · 36 podcast episodes

  Latest podcast episode · Jul 8, 2026

  How AI Learns to Smell with Alex Wiltschko

• Bowen Liu

  Computational Chemistry, Medicinal Chemistry · 1 podcast episode

  Latest podcast episode · Aug 13, 2024

  AI at the Intersection of Bio with Vijay Pande, Surya Ganguli, and Bowen Liu

• Kris Tatiossian

  Computational Chemistry, Machine Learning · 2 podcast episodes

  Latest podcast episode · Aug 13, 2024

  AI at the Intersection of Bio with Vijay Pande, Surya Ganguli, and Bowen Liu

• Olivia Webb

  Computational Chemistry, Machine Learning · 2 podcast episodes

  Latest podcast episode · Aug 13, 2024

  AI at the Intersection of Bio with Vijay Pande, Surya Ganguli, and Bowen Liu

• Surya Ganguli

  Stanford University · as of Sep 2023 · +2 institutions

  Artificial Intelligence, Computer Science · 4 talks · 2 posters · 3 podcast episodes

  Latest podcast episode · Aug 13, 2024

  AI at the Intersection of Bio with Vijay Pande, Surya Ganguli, and Bowen Liu

• Vijay Pande

  Computational Chemistry, Machine Learning · 2 podcast episodes

  Latest podcast episode · Aug 13, 2024

  AI at the Intersection of Bio with Vijay Pande, Surya Ganguli, and Bowen Liu

• Aleksandr Sokolov

  Uppsala University, Sweden

  Programming, Medicinal Chemistry · 1 workshop

  Next workshop · Nov 30, 2026

  AI for Drug Discovery: Machine Learning, Deep Learning and Graph Neural Networks