Computing molecular properties for a database of small molecules using Calculate Descriptors
This video shows how to compute molecular properties for a database of molecules for tasks such as filtering, building QSAR models or in the case of proteins, developability analysis.
[link]video.chemcomp[d]com/watch/QTwHtDiaWeqk33CTPDoYqk?second=95&autoplay=1[label]1:35 Preparing a database prior to calculating descriptors[link end]
[link]video.chemcomp[d]com/watch/QTwHtDiaWeqk33CTPDoYqk?second=148&autoplay=1[label]2:28 Selecting descriptors using the filter textbox[link end]
[link]video.chemcomp[d]com/watch/QTwHtDiaWeqk33CTPDoYqk?second=207&autoplay=1[label]3:27 Calculating the selected descriptors[link end]
