
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype
Keywords: TOMOCOMD-CARDD software; Atom-based quadratic indices; Learning machine-based QSAR; Anti-inflammatory database; Computational screening; Lead generation; In vivo anti-inflammatory assay; Zebrafish; Cytotoxicity; Anti-inflammatory compound