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Disambiguation of "Bakken, Gregory A."

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Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics.

, , , , , , , , , , , , , , , , , and . J. Comput. Aided Mol. Des., 25 (7): 621-636 (2011)

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Gregory A Bournet

Isa Gregory

Robert Gregory

Gregory Kroon

Xaver Gregory

 

Other publications of authors with the same name

Prediction of Hydroxyl Radical Rate Constants from Molecular Structure., and . Journal of Chemical Information and Computer Sciences, 39 (6): 1064-1075 (1999)QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD., and . Journal of Chemical Information and Computer Sciences, 41 (5): 1255-1265 (2001)Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics., , , , , , , , , and 8 other author(s). J. Comput. Aided Mol. Des., 25 (7): 621-636 (2011)Integrated design environment: A multi-use platform for design idea capture, evaluation, and tracking in medicinal chemistry., , , , , and . J. Comput. Chem., 44 (6): 788-800 (March 2023)TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics., , , , , , and . J. Chem. Inf. Model., 62 (4): 785-800 (2022)Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations., , , , , , and . J. Chem. Inf. Model., 59 (10): 4195-4208 (2019)Prediction of Methyl Radical Addition Rate Constants from Molecular Structure., and . Journal of Chemical Information and Computer Sciences, 39 (3): 508-514 (1999)Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression., and . J. Comput. Chem., 34 (19): 1661-1671 (2013)Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy., , , , , , , , , and 1 other author(s). Journal of Chemical Information and Modeling, 52 (11): 2937-2949 (2012)