Results 111 to 120 of about 15,312 (166)

From in-silico QSAR modeling to in-vitro MTT assay: experimental validation of novel uPAR leads for triple-negative breast cancer (TNBC) and skin cancer. [PDF]

Sci Rep
Badukle H, Jawarkar RD, Shah U, Chaudhary S, Alzahrani AYA, Samad A, Al-Hussain SA, Al-Mutairi AA, Zaki MEA.   +8 more
europepmc   +1 more source

QSAR machine learning-guided discovery of renieramycin right-half derivatives with cytotoxic activity against NSCLC cells. [PDF]

Sci Rep
Putra ID, Maitarad P, Yokoya M, Ei ZZ, Hotta D, Shi L, Rungrotmongkol T, Chanvorachote P.   +7 more
europepmc   +1 more source

Accelerating Discovery of Leukemia Inhibitors Using AI-Driven Quantitative Structure-Activity Relationship: Algorithm Development and Validation. [PDF]

JMIR AI
Kakraba S, Agyemang EF, Shmookler Reis RJ.   +2 more
europepmc   +1 more source

Mining Structural Information from Gas Chromatography-Electron-Impact Ionization-Mass Spectrometry Data for Analytical-Descriptor-Based Quantitative Structure-Activity Relationship. [PDF]

J Xenobiot
Zushi Y.
europepmc   +1 more source

Guidelines for the assessment and control of mutagenic impurities in pharmaceuticals. [PDF]

Genes Environ
Honma M.
europepmc   +1 more source

Modeling the Mutational Effects on Biochemical Phenotypes of SARS-CoV-2 Using Molecular Fields. [PDF]

Biomolecules
Wang B, Xi Z.
europepmc   +1 more source

Development of QSAR Models and Web Applications for Predicting hDHFR Inhibitor Bioactivity Using Machine Learning. [PDF]

Molecules
Maattallaoui I, Sakho M, Maatallaoui A, Catalán EB, Aouad NE.   +4 more
europepmc   +1 more source

Quantitative structure activity relationship (QSAR) modeling for adsorption of organic compounds by activated carbon based on Freundlich adsorption isotherm. [PDF]

PLoS One
Ding S, Yang Y, Tan T, Wei Q, Shen Z, Liu Q, Song X, Wang Y, Nzila C, Chow CWK.   +9 more
europepmc   +1 more source