Results 181 to 190 of about 8,218,575 (213)

A QSPR study of coronary artery disease drugs using eccentricity-based indices. [PDF]

Sci Rep
Iqbal N, Akhter S, Alraih AM, Iqbal Z, Aslam A, Tola KA.   +5 more
europepmc   +1 more source

Contributions of DNA mechanics and trans-regulation to nucleosome positioning in Schizosaccharomyces pombe and its role in co-transcriptional splicing. [PDF]

Epigenetics Chromatin
Liu G, Cang J, Du Z, Cui X, Zhao H, Liu J.   +5 more
europepmc   +1 more source

Interpretable Bayesian optimization for catalyst discovery.

Faraday Discuss
Nair AS, Foppa L, Scheffler M.
europepmc   +1 more source

Machine Learning-Driven Prediction of Microplastic Aging Processes and Environmental Risk Assessment Across Multi-Media Systems. [PDF]

Adv Sci (Weinh)
Lyu Y, Qiu X, Li X, Yang T, Guo X, Qiu H, Zhang P.   +6 more
europepmc   +1 more source

Predicting properties of antifungal drug molecules using neighborhood degree topological indices. [PDF]

Sci Rep
Almulla AA, Irfan I, Mufti ZS, Almulla MO, Ganati GA.   +4 more
europepmc   +1 more source

On machine learning based QSPR analysis of amphetamine derivatives using regression models. [PDF]

Sci Rep
Hanif MF, Hashem AF, Hussain M, Fiidow OA.   +3 more
europepmc   +1 more source

Raman spectroscopy as an alternative approach for prediction of silicate mineral content in sedimentary rocks. [PDF]

Sci Rep
Pěgřimočová Z, Ritz M.
europepmc   +1 more source

Prediction of suitable drug for keloid through analytic hierarchy process and topological indices. [PDF]

Sci Rep
Janagi K, Usha A, Ismail R, Shanmukha MC.   +3 more
europepmc   +1 more source

Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structures. [PDF]

Brief Bioinform
Pan Q, Portelli S, Nguyen TB, Ascher DB.
europepmc   +1 more source

PTGS2-Based Network Pharmacology and Molecular Modeling Investigation of the Antioxidant Potential of Ethanolic <i>Allium atroviolaceum</i> Boiss. Extracts Across Plant Parts: Compositional Diversity, UHPLC-QTOF-IMS, and Experimental Validation. [PDF]

Life (Basel)
Snoussi M, Noumi E, Alzahrani MM, Alabbosh KF, Alsenani Q, Alshammari M, Adnan M, Siddiqui AJ, Salah RB, Ktari N, Hosni K, De Feo V, Kadri A.   +12 more
europepmc   +1 more source