Results 161 to 170 of about 75,103 (257)

Synthesis, antimicrobial evaluation and QSAR studies of p-amino benzoic acid derivatives [PDF]

, 2014
Pradeep Kumar, Balasubramanian Narasimhan   +1 more
openalex   +1 more source

An ontology-based disambiguation of terms [PDF]

, 2011
Ananiadou, S, King, R D, Kolluru, B, Qi, D, Soldatova, L N   +4 more
core  

A case study of the application of AI to early stage drug discovery. [PDF]

Sci Rep
Abdel-Rehim A, Soldatova LN, King RD.
europepmc   +1 more source

Molecular docking, molecular dynamics simulation, biological evaluation and 2D QSAR analysis of flavonoids from Syzygium alternifolium as potent anti-Helicobacter pylori agents

, 2017
Munichandra Babu Tirumalasetty, Sivarathri Siva Rajesh, Baki Vijaya Bhaskar, Savita Devi, Aluru Rammohan, Thirunavakkarasu Sivaraman, Wudayagiri Rajendra   +6 more
openalex   +2 more sources

Interaction mechanism of okra (Abelmoschus esculentus L.) seed protein and flavonoids: Fluorescent and 3D-QSAR studies

, 2023
Chengyun He, Lu Bai, Daqun Liu, Benguo Liu   +3 more
openalex   +1 more source

The promise (or not) of quantum chemistry in QSAR [PDF]

, 2009
Bultinck, Patrick, Van Damme, Sofie
core   +1 more source

Experimental and modelling studies on antifungal compounds

Open Chemistry, 2006
Doble Mukesh, Kumar K.
doaj   +1 more source

Machine Learning- and AI-Driven QSAR Models for the Discovery of Novel Potential Fungicides: FAPI (Fungicide Targeting Acid Phosphatase Inhibition). [PDF]

J Agric Food Chem
Gálvez-Llompart M, Zanni R, Morales Y, Polonio Á, Fernández-Ortuño D, Pérez-García A, Pérez-Giménez F.   +6 more
europepmc   +1 more source

QSAR modeling of antiradical and antioxidant activities of flavonoids using electrotopological state (E-State) atom parameters

Open Chemistry, 2007
Ray Supratim, Sengupta Chandana, Roy Kunal   +2 more
doaj   +1 more source

Designing Potent HIV‑1 Protease Inhibitors Using Machine Learning and QSAR Approaches. [PDF]

ACS Omega
Ali S, Dwi Putra I, Chuntakaruk H, Wolschann P, Maitarad P, Rungrotmongkol T, Hannongbua S.   +6 more
europepmc   +1 more source