康富生技林秦葦

Way2Drug portal is developed and supported by the multidisciplinary team of researchers working in bioinformatics, chemoinformatics and computer-aided drug discovery for about thirty years. We have proposed the local correspondence concept, according which biological activity of drug-like organic compound is based on the molecular recognition between the particular atoms of the ligand and the target. Using this concept, we have developed a consistent system of atom-centered neighborhoods of atoms descriptors including MNA (Filimonov et al., 1999), QNA (Filimonov et al., 2009), and LMNA (Rudik et al., 2014), and have implemented them in several SAR/QSAR/QSPR modeling approaches.