Results 81 to 90 of about 255 (160)

Implementing Annotation Confidence Scoring in Untargeted Mass Spectrometry Workflows for Small Molecule Analysis. [PDF]

Anal Chem
Krakko D, Tautenhahn R, Stutts WL.
europepmc   +1 more source

Semantic Foundations of Reductive Reasoning. [PDF]

Topoi (Dordr)
Gheorghiu AV, Pym DJ.
europepmc   +1 more source

Explainable Machine Learning for Efficient Cocrystal Prediction: Leveraging Morgan Fingerprints to Decode Local Structure-Cocrystal Formation Relationships. [PDF]

J Phys Chem A
Liu Y, Liu Y, Du Z, Zheng H, Yang D, Gao Y.   +5 more
europepmc   +1 more source

Generalized Revenge. [PDF]

Australas J Philos, 2020
Murzi J, Rossi L.
europepmc   +1 more source

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. [PDF]

Nucleic Acids Res, 2021
Xiong G, Wu Z, Yi J, Fu L, Yang Z, Hsieh C, Yin M, Zeng X, Wu C, Lu A, Chen X, Hou T, Cao D.   +12 more
europepmc   +1 more source

Interpretable QSAR and Complementary Docking for PARP1 Inhibitor Prioritization: Reliability Stratification and Near-Domain Screening. [PDF]

Pharmaceuticals (Basel)
Elsayad AM, Elsayad KA.
europepmc   +1 more source

Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning. [PDF]

Mol Pharm
Chen Y, Winiwarter S, Jacob RA, Ahlqvist M, Mazzolari A, Miljković F, Kirchmair J.   +6 more
europepmc   +1 more source

AI-Assisted Identification of a Putative Allosteric Ligand Targeting the CDK4/Cyclin D1 Protein-Protein Interface. [PDF]

Pharmaceuticals (Basel)
Kurt B.
europepmc   +1 more source

Semantic Cut Elimination for the Logic of Bunched Implications and Structural Extensions, Formalized in Coq

, 2022
Frumin D.
europepmc   +1 more source

Dual-Site Acetylcholinesterase Inhibition and Multiscale Stability of Fused Quinoline Sulfonamides: A Chemoinformatic GA-MLR and Molecular Dynamics Study. [PDF]

Int J Mol Sci
Nilewar SS, Chavan AD, Pradhan AR, Tripathy AA, Bandaru N, Dudhe PB, Kumar PK, Lodha S, Muteeb G, Peredo-Valderrama I, Naranjo-Redondo AJ, Pawar TJ.   +11 more
europepmc   +1 more source