Results 241 to 250 of about 1,158,124 (312)

Regularized regression in ultra-small chemometric datasets: A methodological case study using FTIR spectra of Schiff bases. [PDF]

PLoS One
Rashedi KA, Alshammari TS, Alshammari KM, Alanazi TA, Shabbir J, Mehmood T.   +5 more
europepmc   +1 more source

An Explainable 2D-QSAR Machine Learning Approach for Predicting COX-2 Inhibitory Activity Using Molecular Fingerprints. [PDF]

Pharmaceuticals (Basel)
Ouassaf M, Alhatlani BY.
europepmc   +1 more source

A Molecular Descriptor-Based Analysis of Organic Compounds and Designing New Promising Candidates by Machine Learning. [PDF]

ACS Omega
Aljaafreh MJ, Sumrra SH, Hassan AU, Noreen S.   +3 more
europepmc   +1 more source

Chemical carcinogenesis models and mechanisms ; proceedings of the 4. Sardinian International Meeting on Models and Mechanisms in Chemical Carcinogenesis

, 1988
Sardinian International Meeting on Models and Mechanisms in Chemical Carcinogenesis 1987 Alghero, Feo, Francesco   +1 more
core  

AI-assisted interpretation of Markush structures in pharmaceutical patents: a review of emerging tools, datasets, and challenges. [PDF]

J Cheminform
Hayes JMU, Olawode EO, Andy A, Ameyaw EE.   +3 more
europepmc   +1 more source

From Local Atomic Structure to X-ray Spectra: Absorber-Centric Machine-Learning Encoding. [PDF]

J Phys Chem A
James Pope T, Li B, Junkawitsch H, Bande A, James Penfold T.   +4 more
europepmc   +1 more source

Generalization of long-range machine learning potentials in complex chemical spaces.

Digit Discov
Sanocki M, Zavadlav J.
europepmc   +1 more source