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Journal of Cheminformatics
|
May 19, 2023
Combatting over-specialization bias in growing chemical databases
Katharina Dost, Zac Pullar-Strecker, Liam Brydon, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Journal of Cheminformatics
|
February 3, 2015
A ranking method for the concurrent learning of compounds with various activity profiles
Alexander Dörr, Lars Rosenbaum, Andreas Zell
Journal of Cheminformatics
|
March 10, 2015
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints
Mahendra Awale, Xian Jin, Jean-Louis Reymond
Journal of Cheminformatics
|
April 20, 2021
Flame: an open source framework for model development, hosting, and usage in production environments
Manuel Pastor, José Carlos Gómez-Tamayo, Ferran Sanz
Journal of Cheminformatics
|
March 20, 2010
Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
Christopher Southan, Péter Várkonyi, Sorel Muresan
Journal of Cheminformatics
|
March 20, 2010
DPRESS: Localizing estimates of predictive uncertainty
Robert D Clark
Journal of Cheminformatics
|
March 20, 2010
Small Molecule Subgraph Detector (SMSD) toolkit
Syed Asad Rahman, Matthew Bashton, Gemma L Holliday, et al.
Journal of Cheminformatics
|
March 20, 2010
Large scale study of multiple-molecule queries
Ramzi J Nasr, S Joshua Swamidass, Pierre F Baldi
Journal of Cheminformatics
|
March 20, 2010
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl, Ansgar Schuffenhauer
Page
of 144
Search research articles
Search
Showing results (221-230 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
May 19, 2023
Combatting over-specialization bias in growing chemical databases
Katharina Dost, Zac Pullar-Strecker, Liam Brydon, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Journal of Cheminformatics
|
February 3, 2015
A ranking method for the concurrent learning of compounds with various activity profiles
Alexander Dörr, Lars Rosenbaum, Andreas Zell
Journal of Cheminformatics
|
March 10, 2015
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints
Mahendra Awale, Xian Jin, Jean-Louis Reymond
Journal of Cheminformatics
|
April 20, 2021
Flame: an open source framework for model development, hosting, and usage in production environments
Manuel Pastor, José Carlos Gómez-Tamayo, Ferran Sanz
Journal of Cheminformatics
|
March 20, 2010
Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
Christopher Southan, Péter Várkonyi, Sorel Muresan
Journal of Cheminformatics
|
March 20, 2010
DPRESS: Localizing estimates of predictive uncertainty
Robert D Clark
Journal of Cheminformatics
|
March 20, 2010
Small Molecule Subgraph Detector (SMSD) toolkit
Syed Asad Rahman, Matthew Bashton, Gemma L Holliday, et al.
Journal of Cheminformatics
|
March 20, 2010
Large scale study of multiple-molecule queries
Ramzi J Nasr, S Joshua Swamidass, Pierre F Baldi
Journal of Cheminformatics
|
March 20, 2010
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl, Ansgar Schuffenhauer
Page
of 144