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on
1
- Intro
2
- Background QSAR Modeling + Molecular Representations
3
- A Latent Representation for Chemistry
4
- Bioactivity Modeling
5
- Proteochemometric Modeling
6
- Griinif.ai: Human-in-the-loop
7
- De-novo Design with Phenotypic Screens
8
- Molecular Inverse Problems
9
- Conclusion
10
- Q+A
Description:
Explore molecular representations for drug discovery in this conference talk by Djork-Arné Clevert from Valence Labs. Delve into QSAR modeling, latent representations for chemistry, bioactivity modeling, and proteochemometric modeling. Learn about Griinif.ai's human-in-the-loop approach and de-novo design with phenotypic screens. Examine molecular inverse problems and their applications in drug discovery. Gain insights from the Q&A session following the presentation. Connect with the speaker and other attendees through the provided Slack invitation link for further discussions on molecular machine learning in drug discovery.

Molecular Representations for Drug Discovery

Valence Labs
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