High-quality RDKit 2D rendering + an interactive 3Dmol.js WebGL viewer, linked to the database via the left-dock Molecule browser and the right-dock Properties pane (MW, logP, TPSA, HBD/HBA, Lipinski ...
Web API wrapper for nmrshiftdb2 predictors. Please see https://nmrshiftdb.nmr.uni-koeln.de for details on nmrshiftdb. This app will parse a list of InChI and SMILES strings and return canonicalized ...
一些您可能无法访问的结果已被隐去。
显示无法访问的结果