Daniel Reker
MIT Koch Institute for Integrative Cancer Research
26 papers found
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Artificial intelligence for natural product drug discovery
UploadActive learning for computational chemogenomics
Download from hdl.handle.netSmall Random Forest Models for Effective Chemogenomic Active Learning
Download from www.jstage.jst.go.jpNew use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate
Download from doi.orgMatrix-based Molecular Descriptors for Prospective Virtual Compound Screening
Download from onlinelibrary.wiley.comCounting on natural products for drug design
Download from www.nature.comDe Novo Fragment Design for Drug Discovery and Chemical Biology
Download from www.researchgate.netRevealing the Macromolecular Targets of Fragment-Like Natural Products
Download from www.researchgate.netFragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA
Download from www.researchgate.netChemography of Natural Product Space
Download from www.thieme-connect.deRevealing the macromolecular targets of complex natural products
UploadCoping with Polypharmacology by Computational Medicinal Chemistry
Download from www.researchgate.netDeorphaning pyrrolopyrazines as potent multi-target antimalarial agents
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