Results 121 to 130 of about 696 (191)

Where Mathematical Symbols Come From. [PDF]

Top Cogn Sci
Schlimm D.
europepmc   +1 more source

A High-Performance and Interpretable p<i>K</i>_a Prediction Framework Integrating Count-Based Fingerprints and Ensemble Learning. [PDF]

Molecules
Shen H, He Y, Deng J, Li X, Yang C, Ma D, Xia D, Yu H.   +7 more
europepmc   +1 more source

Machine Learning-Enabled Parallel Prediction and Co-Design of Polyimides for Tailored Glass Transition, Dielectric, and Bandgap Properties. [PDF]

ACS Omega
Liang B, Huo W, Wu X, Zheng R.
europepmc   +1 more source

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

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

Semantic Foundations of Reductive Reasoning. [PDF]

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

Generalized Revenge. [PDF]

Australas J Philos, 2020
Murzi J, Rossi L.
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

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