RDKit
PulseAugur coverage of RDKit — every cluster mentioning RDKit across labs, papers, and developer communities, ranked by signal.
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AI model learns chemical properties from molecular data, controlling for sequence shortcuts
Researchers have developed a new method to evaluate molecular generative models, specifically Transformer-VAEs trained on SELFIES. Their approach addresses the issue where apparent property predictability might stem fro…
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Bolek model grounds AI reasoning in molecular structure for drug discovery
Researchers have developed Bolek, a compact multimodal language model designed for molecular reasoning. This model integrates molecular structure embeddings into an instruction-tuned text decoder, enabling it to ground …
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Machine learning models predict Alzheimer's drug candidates from natural compounds
Researchers have developed a machine learning approach to identify potential Alzheimer's disease treatments from natural compounds. The study utilized cheminformatics to extract molecular descriptors and trained various…