Greg Landrum, Ph.D.

Affiliations: 
Chemistry Information Systems Novartis Institutes for BioMedical Research, Cambridge, MA, United States 
Area:
informatics, molecular fingerprints
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"Greg Landrum"
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Publications

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Schneider N, Lowe DM, Sayle RA, et al. (2016) Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter. Journal of Medicinal Chemistry
Riniker S, Landrum G. (2015) Better Informed Distance Geometry: Using What We Know to Improve Conformation Generation. Journal of Chemical Information and Modeling
Schneider N, Sayle RA, Landrum GA. (2015) Get Your Atoms in Order-An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. Journal of Chemical Information and Modeling. 55: 2111-20
Schneider N, Lowe DM, Sayle RA, et al. (2015) Corrections to "development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity". Journal of Chemical Information and Modeling. 55: 474
Schneider N, Lowe DM, Sayle RA, et al. (2015) Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity. Journal of Chemical Information and Modeling. 55: 39-53
Schneider N, Lowe DM, Sayle RA, et al. (2015) Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity Journal of Chemical Information and Modeling. 55: 39-53
Riniker S, Wang Y, Jenkins JL, et al. (2014) Using information from historical high-throughput screens to predict active compounds Journal of Chemical Information and Modeling. 54: 1880-1891
Tosco P, Stiefl N, Landrum G. (2014) Bringing the MMFF force field to the RDKit: Implementation and validation Journal of Cheminformatics. 6
Riniker S, Fechner N, Landrum GA. (2013) Heterogeneous classifier fusion for ligand-based virtual screening: Or, how decision making by committee can be a good thing Journal of Chemical Information and Modeling. 53: 2829-2836
Riniker S, Landrum GA. (2013) Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods. Journal of Cheminformatics. 5: 43
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