Showing results (1281-1290 of 1,363) with videos related to
Sort By:
Pageof 137
Journal of Cheminformatics|March 14, 2015
Predicting volume of distribution with decision tree-based regression methods using predicted tissue:plasma partition coefficientsAlex A Freitas, Kriti Limbu, Taravat GhafourianJournal of Cheminformatics|August 2, 2012
Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2Hans-Christian Ehrlich, Matthias RareyJournal of Cheminformatics|August 31, 2012
Applied and implied semantics in crystallographic publishingBrian McMahonJournal of Cheminformatics|August 23, 2012
FragVLib a free database mining software for generating "Fragment-based Virtual Library" using pocket similarity search of ligand-receptor complexesRaed KhashanJournal of Cheminformatics|September 20, 2012
Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChINoel M O'BoyleJournal of Cheminformatics|October 30, 2021
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectraFlorian Huber, Sven van der Burg, Justin J J van der Hooft, et al.Journal of Cheminformatics|May 3, 2022
Efficient 3D conformer generation of cyclic peptides formed by a disulfide bondHuanyu Tao, Qilong Wu, Xuejun Zhao, et al.Journal of Cheminformatics|July 28, 2022
Confidence bands and hypothesis tests for hit enrichment curvesJeremy R Ash, Jacqueline M Hughes-OliverJournal of Cheminformatics|April 12, 2023
Principles and requirements for nanomaterial representations to facilitate machine processing and cooperation with nanoinformatics toolsKostas Blekos, Kostas Chairetakis, Iseult Lynch, et al.Journal of Cheminformatics|April 3, 2023
LinChemIn: SynGraph-a data model and a toolkit to analyze and compare synthetic routesMarta Pasquini, Marco StentaPageof 137