Langer, Thierry

A compact review of molecular property prediction with graph neural networks

Wieder, O., Kohlbacher, S., Kuenemann, M., Garon, A., Ducrot, P., Seidel, T., & Langer, T. (2020) · Drug Discovery Today: Technologies

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 522

Recognizing Pitfalls in Virtual Screening: A Critical Review

Scior, T., Bender, A., Tresadern, G., Medina-Franco, J. L., Martínez-Mayorga, K., Langer, T., Cuanalo-Contreras, K., & Agrafiotis, D. K. (2012) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds

Cited by 438

Why Drugs Fail - A Study on Side Effects in New Chemical Entities

Schuster, D., Laggner, C., & Langer, T. (2005) · Current Pharmaceutical Design

Pharmacovigilance and Adverse Drug ReactionsStatistical Methods in Clinical Trials

Cited by 417