Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
Igor I. Baskin · Royal Society of Chemistry eBooks · 2008
Chemoinformatics1–5 is an emerging science that concerns the mixing of chemical information resources to transform data into information, and information into knowledge. It is a branch of theoretical chemistry based on its molecular model, and which uses its own basic concepts, learning approaches a...