AI for Drug Development
AI for Drug Development
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Modof
Modof is a generative AI tool for lead optimization. Given a lead to optimize and its desired properties, Modof intelligently changes a few fragments of the lead molecule and modifies the lead into another similar molecule which has better desired properties. Modof generates such optimized molecules automatically without expert knowledge input.
Referece: PMID:35187404
Contact: Xia Ning
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G2Retro
G2retro is a generative AI tool to generate one-step synthesis routes for any given product. It can produce multiple possible synthesis routes that are feasible and diverse. G2retro generates such routes without expert knowledge input.
Reference: PMID: 37253928
Contact: Xia Ning
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TCRPPO
TCRPPO is a generative AI tool for peptide design. It generates T-cell receptors (TCRs) that can better recognize given peptides.
Reference: https://link.springer.com/chapter/10.1007/978-3-031-29119-7_11
Contact: Xia Ning
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LlaSMol
LlaSMol is a Large-Lanauge Model (LLM) together with a high-quality instruction tuning dataset for a wide variety of tasks in drug development, including property prediction, forward synthesis, name convension, etc.
Reference: to appear in COLM 2024
Contact: Xia Ning
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DeepCE
Deep learning framework for high-throughput mechanism-driven phenotype compound screening
Reference: PMID: 33796820
Contact: Ping Zhang
- CIGER