Results 171 to 180 of about 29,861 (222)

QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

Open Chemistry, 2011
Toropova Alla, Toropov Andrey, Benfenati Emilio, Gini Giuseppina   +3 more
doaj   +1 more source

Mapping the Evolution of Artificial Intelligence in Medical Materials. [PDF]

ACS Omega
Huang S, Jin Y, Hou X, Huang Z, Hu J, Yu H, He Z.   +6 more
europepmc   +1 more source

Tracking protein kinase targeting advances: integrating QSAR into machine learning for kinase-targeted drug discovery. [PDF]

Future Sci OA
Shahin R, Jaafreh S, Azzam Y.
europepmc   +1 more source

Anti-cancer activity elucidation of geissolosimine as an MDM2-p53 interaction inhibitor: An in-silico study. [PDF]

PLoS One
Al-Amin M, Tanjin R, Karim MR, Etee JM, Siddika A, Akter N, Uddin MH, Mahmud R, Saffat T, Hossen MF, Mowlee SI, Rafa EK, Akter S.   +12 more
europepmc   +1 more source

DPPPRED-IV: An Ensembled QSAR-Based Web Server for the Prediction of Dipeptidyl Peptidase 4 Inhibitors. [PDF]

Int J Mol Sci
Carpio LE, Olivares M, Ortega-Vallbona R, Serrano-Candelas E, Sanz Y, Gozalbes R.   +5 more
europepmc   +1 more source

ML enhanced bioactivity prediction for angiotensin II receptor: A potential anti-hypertensive drug target. [PDF]

Sci Rep
Sankar J, Rajendran V, Kuriakose BB, Alhazmi AH, Wong LS, Muthusamy K.   +5 more
europepmc   +1 more source

Risk assessment of industrial chemicals towards salmon species amalgamating QSAR, q-RASAR, and ARKA framework. [PDF]

Toxicol Rep
Bhattacharyya P, Das S, Ojha PK.
europepmc   +1 more source

2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase. [PDF]

PLoS One
Khedraoui M, Karim EM, Abchir O, Errougui A, Raouf YS, Samadi A, Chtita S.   +6 more
europepmc   +1 more source

Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms. [PDF]

J Chem Inf Model
Masuda T, Watanabe C, Kato K, Honma T, Ohta M, Ikeguchi M.   +5 more
europepmc   +1 more source