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Current Opinion in Structural Biology|February 4, 2023
Chemical language models for de novo drug design: Challenges and opportunitiesFrancesca Grisoni
Nature Communications|January 7, 2023
Leveraging molecular structure and bioactivity with chemical language models for de novo drug designMichael Moret, Irene Pachon Angona, Leandro Cotos, et al.
Alzheimer'S & Dementia (New York, N. Y.)|March 26, 2024
Baricitinib and tofacitinib off-target profile, with a focus on Alzheimer's diseaseMaria L Faquetti, Laura Slappendel, Hélène Bigonne, et al.
Digital Discovery|December 27, 2024
A hitchhiker's guide to deep chemical language processing for bioactivity predictionRıza Özçelik, Francesca Grisoni
Journal of Cheminformatics|November 13, 2025
How evaluation choices distort the outcome of generative drug discoveryRıza Özçelik, Francesca Grisoni
Molecular Informatics|August 4, 2016
Future De Novo Drug DesignGisbert Schneider
Future Medicinal Chemistry|October 24, 2012
Interview: interview with Gisbert SchneiderGisbert Schneider
Journal of Computer-Aided Molecular Design|December 1, 2011
Designing the molecular futureGisbert Schneider
Nature Reviews. Drug Discovery|December 16, 2017
Automating drug discoveryGisbert Schneider
Nature Reviews. Drug Discovery|April 2, 2010
Virtual screening: an endless staircase?Gisbert Schneider
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