Results 151 to 160 of about 21,290 (203)

PROTAC-Splitter: a machine learning framework for automated identification of PROTAC substructures. [PDF]

J Cheminform
Ribes S, Zhang R, Cropsal T, Källberg A, Tyrchan C, Nittinger E, Mercado R.   +6 more
europepmc   +1 more source

ChemGraphX: an open-source web tool for computing topological indices and entropy measures. [PDF]

J Cheminform
Jacob K, Clement J, Arockiaraj M, Jindal A.   +3 more
europepmc   +1 more source

Potential for Computational Genotoxicity: A Report on Symposium 3 of the 53rd Annual Meeting of the Japanese Environmental Mutagen and Genome Society (JEMS), 2024. [PDF]

Genes Environ
Koyama N, Furuhama A, Kruhlak NL, Shinada NK, Izawa K.   +4 more
europepmc   +1 more source

Ligand B-Factor Index: A Metric for Prioritizing Protein-Ligand Complexes in Docking. [PDF]

Mol Inform
Halip L, Neanu C, Avram S.
europepmc   +1 more source

Editorial: Pharmacokinetics modeling in the Artificial Intelligence Era

Frontiers in Drug Discovery
Simone Brogi, Patric Schyman, Vishal B. Siramshetty   +2 more
doaj   +1 more source

MolVE: An Open-Source Web Platform for Visualizing and Evaluating AI-Designed Molecules to Aid in Prioritization. [PDF]

J Chem Inf Model
Rigoni D, Sperduti A, Moro S.
europepmc   +1 more source

Three pillars for ensuring public access and integrity of chemical databases powering cheminformatics. [PDF]

J Cheminform
Williams AJ, Richard AM.
europepmc   +1 more source

Tomatidine suppresses PI3K/Akt signaling to induce apoptosis in oral squamous cell carcinoma: An in vitro and molecular docking study. [PDF]

J Oral Biol Craniofac Res
Padmanabhan S, Sinduja P, Yuwanati M, Jayaraman S, Mullainathan S.   +4 more
europepmc   +1 more source

A Review of Quantitative Structure-Activity Relationship (QSAR) Models to Predict Thyroid Hormone System Disruption by Chemical Substances. [PDF]

Toxics
Evangelista M, Papa E.
europepmc   +1 more source

Chemical space as a unifying theme for chemistry. [PDF]

J Cheminform
Reymond JL.
europepmc   +1 more source