3D QSAR studies have been carried out on a series of polyphenols for their antimalarial activity using CATALYST program. Hypothesis with three features namely hydrophobic (1), hydrogen bond donor (1) ...

Acta Pharmacologica Sinica - 3D-QSAR and 3D-QSSR studies of thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as CDK4 inhibitors by CoMFA analysis Skip to main content Thank you for visiting nature.com.

Active learning FEP using 3D-QSAR for prioritizing bioisosteres in medicinal chemistry 27 February 2025 14:00-15:00, United Kingdom ... 3D-quantitative structure activity relationships (3D-QSAR) with ...

3D QSAR; SAR analysis; Understanding of scaffold diversity; Detection of common binding elements; FastROCS has already been recognized for its superior performance on the GPU having won the first ...