Results 91 to 100 of about 255 (160)

Leveraging 13C-Labeling to Assign Molecular Formulas to Unknown Yeast Metabolites. [PDF]

J Am Soc Mass Spectrom
Xing X, Lu W, Li X, Pratas JS, Oschmann AM, Rabinowitz JD.   +5 more
europepmc   +1 more source

Machine Learning-Based Prediction of Rule Violations for Drug-Likeness Assessment in Peptide Molecules Using Random Forest Models. [PDF]

Int J Mol Sci
Lambev M, Dimitrova D, Mihaylova S.
europepmc   +1 more source

Deep Learning for Anticancer Drug Discovery Targeting Non-Apoptotic Regulated Cell Death Mechanisms. [PDF]

Pharmaceuticals (Basel)
Jiang M, Mu J, Yang S, Li P.
europepmc   +1 more source

Detecting and Grouping In-Source Fragments with Low-Energy Stepped HCD, Together with MS³, Increases Identification Confidence in Untargeted LC-Orbitrap Metabolomics of Plantago lanceolata Leaves and P. ovata Husk. [PDF]

Metabolites
Pedišius V, Stratton T, Taujenis L, Jakštas V, Tamošiūnas V.   +4 more
europepmc   +1 more source

Analysis of the interaction network relationship between drugs using a graph neural network. [PDF]

Front Pharmacol
Chai Z, Wang J, Du H.
europepmc   +1 more source

Explainability Methods from Machine Learning Detect Important Drugs' Atoms in Drug-Target Interactions. [PDF]

J Chem Inf Model
Mahindran M, Liu Q, Kadambalithaya VM, Kalinina OV.   +3 more
europepmc   +1 more source

Hardware-in-the-Loop experiments in model ice for analysis of ice-induced vibrations of offshore structures. [PDF]

Sci Rep
Hammer TC, Hendrikse H.
europepmc   +1 more source

Using Machine Learning for the Discovery and Development of Multitarget Flavonoid-Based Functional Products in MASLD. [PDF]

Molecules
Kuznetsov M, Klein E, Velina D, Mutallibzoda S, Orlovtseva O, Tefikova S, Klyuchnikova D, Nikitin I.   +7 more
europepmc   +1 more source

Mining the Hidden Pharmacopeia: Fungal Endophytes, Natural Products, and the Rise of AI-Driven Drug Discovery. [PDF]

Int J Mol Sci
Al Shami R, Mousa WK.
europepmc   +1 more source