alvascience.bsky.social
Software Solutions for Cheminformatics and QSAR https://www.alvascience.com/ #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem
👤 Joined on 18 November 2024
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@alvascience.bsky.socialA collaborative effort between the Zobi and Lattuada Research Groups! They recently published a new article in the journal ACS Omega, titled; “Unlabeled but Not Unseen: Cytotoxicity Classification of Re(I) Tricarbonyl Complexes via K-Means Clustering“. pubs.acs.org/doi/10.1021/...
Show PostBellerophon: An Automated Tool for PROTAC Decomposition
Show Post#Fsp3: The Descriptor Formerly Known As I_ALI #cheminformatics #MedChem #DrugDesign #DrugDiscovery #chemsky 🧪 doi.org/10.1002/qsar...
Show PostCharacterization and Chemoinformatic Prediction of Retention Indices of Metabolites in Coffee and Plantain Byproduct Flours Using Gas Chromatography–Time-of-Flight Mass Spectrometry #JAFC pubs.acs.org/doi/10.1021/...
Show PostThe Tibetan Plateau region is an important source of freshwater for two billion people. Climate change has been releasing substances from the permafrost. We reviewed the literature and applied a ML model to identify #PMT substances that are a concern to water quality. pubs.acs.org/doi/10.1021/...
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