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Journal of Cheminformatics|December 16, 2018
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screeningHio Kuan Tai, Siti Azma Jusoh, Shirley W I SiuJournal of Cheminformatics|December 16, 2018
JPlogP: an improved logP predictor trained using predicted dataJeffrey Plante, Stephane WernerJournal of Cheminformatics|February 11, 2018
Key features and updates for origin 2018James G Moberly, Matthew T Bernards, Kristopher V WaynantJournal of Cheminformatics|November 30, 2018
chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning modelsJeremy R Ash, Jacqueline M Hughes-OliverJournal of Cheminformatics|March 19, 2013
Applications of the InChI in cheminformatics with the CDK and BioclipseOla Spjuth, Arvid Berg, Samuel Adams, et al.Journal of Cheminformatics|February 6, 2013
New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation termsHwanho Choi, Hongsuk Kang, Hwangseo ParkJournal of Cheminformatics|February 13, 2013
Random forests for feature selection in QSPR Models - an application for predicting standard enthalpy of formation of hydrocarbonsAna L Teixeira, João P Leal, Andre O FalcaoJournal of Cheminformatics|February 19, 2013
Dragon exploration system on marine sponge compounds interactionsSunil Sagar, Mandeep Kaur, Aleksandar Radovanovic, et al.Journal of Cheminformatics|July 26, 2013
Rubabel: wrapping open Babel with RubyRob Smith, Ryan Williamson, Dan Ventura, et al.Pageof 137