Results 191 to 200 of about 24,906 (269)

Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

, 2006
Richard L. Apodaca
openalex   +1 more source

MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data [PDF]

, 2014
Mark Davies, Michał Nowotka, George Papadatos, Francis Atkinson, Gerard J. P. van Westen, Nathan Dedman, Rodrigo Ochoa, John P. Overington   +7 more
openalex   +1 more source

Open Benchmarks for Cheminformatics: Working with Japex

, 2009
Richard L. Apodaca
openalex   +1 more source

NPBS Atlas: a comprehensive data resource for exploring the biological sources of natural products. [PDF]

J Cheminform
Xu T, Dai J, Li Y, Zhou J, Zhao Y, Chen W, Xue XS.   +6 more
europepmc   +1 more source

CaliciBoost: Performance-driven evaluation of molecular representations for caco-2 permeability prediction. [PDF]

J Cheminform
Le HV, Ren W, Kim J, Yun Y, Park YB, Kim YJ, Han BK, Choi I, Park JI, Yun HY, Choi JM.   +10 more
europepmc   +1 more source

Data-Driven Polyoxometalate Chemistry. [PDF]

Chemistry
Kondinski A, Gumerova NI, Rompel A, Falcaro P, Schreck T.   +4 more
europepmc   +1 more source

Linear Graphlet Models for Accurate and Interpretable Cheminformatics [PDF]

Michael Tynes, Michael G. Taylor, Jan Janßen, Daniel J. Burrill, Danny Pérez, Ping Yang, Nicholas Lubbers   +6 more
openalex   +1 more source

BioRGroup dataset: R-group expansion of ChEBI molecules referenced in the Rhea database. [PDF]

Sci Data
Gricourt G, Faulon JL.
europepmc   +1 more source

Mobile + cloud: a viable replacement for desktop cheminformatics?

, 2013
Clark Alex
openalex   +2 more sources

SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style. [PDF]

J Cheminform
Ilemo SN, Delannée V, Grushin O, Judson P, Patel H, Nicklaus MC, Tarasova NI.   +6 more
europepmc   +1 more source