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Gregory A Landrum

Showing results (11-20 of 35) with videos related to

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Journal of Computer-Aided Molecular Design|January 6, 2007
Feature-map vectors: a new class of informative descriptors for computational drug discoveryGregory A Landrum, Julie E Penzotti, Santosh Putta
Journal of Medicinal Chemistry|April 29, 2005
Conformation mining: an algorithm for finding biologically relevant conformationsSantosh Putta, Gregory A Landrum, Julie E Penzotti
Current Opinion in Drug Discovery & Development|February 26, 2004
Building predictive ADMET models for early decisions in drug discoveryJulie E Penzotti, Gregory A Landrum, Santosh Putta
Journal of Chemical Information and Modeling|October 7, 2015
Get Your Atoms in Order--An Open-Source Implementation of a Novel and Robust Molecular Canonicalization AlgorithmNadine Schneider, Roger A Sayle, Gregory A Landrum
Journal of Chemical Information and Modeling|October 10, 2024
Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin StringsJessica Braun, Paul Katzberger, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|July 18, 2017
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining ApproachNadine Schneider, Nikolas Fechner, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|March 11, 2020
Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle PreferencesShuzhe Wang, Jagna Witek, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|June 23, 2026
Balancing Data Quantity and Quality: Evaluating Curation Strategies for Bioactivity Prediction in Lead OptimizationCarl C G Schiebroek, Gregory A Landrum, Sereina Riniker
Journal of Chemical Information and Modeling|June 17, 2014
Using information from historical high-throughput screens to predict active compoundsSereina Riniker, Yuan Wang, Jeremy L Jenkins, et al.
Inorganic Chemistry|November 20, 1996
The Four-Connected Net in the CeCu(2) Structure and Its Ternary Derivatives. Its Electronic and Structural PropertiesGerhard Nuspl, Kurt Polborn, Jürgen Evers, et al.
Pageof 4

Showing results (11-20 of 35) with videos related to

Sort By:
Pageof 4
Journal of Computer-Aided Molecular Design|January 6, 2007
Feature-map vectors: a new class of informative descriptors for computational drug discoveryGregory A Landrum, Julie E Penzotti, Santosh Putta
Journal of Medicinal Chemistry|April 29, 2005
Conformation mining: an algorithm for finding biologically relevant conformationsSantosh Putta, Gregory A Landrum, Julie E Penzotti
Current Opinion in Drug Discovery & Development|February 26, 2004
Building predictive ADMET models for early decisions in drug discoveryJulie E Penzotti, Gregory A Landrum, Santosh Putta
Journal of Chemical Information and Modeling|October 7, 2015
Get Your Atoms in Order--An Open-Source Implementation of a Novel and Robust Molecular Canonicalization AlgorithmNadine Schneider, Roger A Sayle, Gregory A Landrum
Journal of Chemical Information and Modeling|October 10, 2024
Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin StringsJessica Braun, Paul Katzberger, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|July 18, 2017
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining ApproachNadine Schneider, Nikolas Fechner, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|March 11, 2020
Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle PreferencesShuzhe Wang, Jagna Witek, Gregory A Landrum, et al.
Journal of Chemical Information and Modeling|June 23, 2026
Balancing Data Quantity and Quality: Evaluating Curation Strategies for Bioactivity Prediction in Lead OptimizationCarl C G Schiebroek, Gregory A Landrum, Sereina Riniker
Journal of Chemical Information and Modeling|June 17, 2014
Using information from historical high-throughput screens to predict active compoundsSereina Riniker, Yuan Wang, Jeremy L Jenkins, et al.
Inorganic Chemistry|November 20, 1996
The Four-Connected Net in the CeCu(2) Structure and Its Ternary Derivatives. Its Electronic and Structural PropertiesGerhard Nuspl, Kurt Polborn, Jürgen Evers, et al.
Pageof 4