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I want to explore protein structures and drug-target interactions
QFold – AI-Assisted Molecular Similarity Search
Find similar molecules using HOMO/LUMO similarity for molecules up to 9 atoms and Morgan fingerprints for larger molecules.
Advanced Scientific Tools · ExternalI need a fast force field for my metal complex
RapidMetalFF-AI – Metal / Organic Force Field Calculator
Calculate metal and organic force-field parameters in less than one minute.
Advanced Scientific Tools · ExternalFTIR, UV-Vis & NMR Spectra Predictor
Draw or load a molecule and generate approximate FTIR, UV-Vis and NMR spectra locally in your browser.
Chemistry · Browser