Greg Landrum, Ph.D. - Publications

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

19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Schneider N, Lowe DM, Sayle RA, Tarselli MA, Landrum GA. Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter. Journal of Medicinal Chemistry. PMID 27028220 DOI: 10.1021/Acs.Jmedchem.6B00153  0.663
2015 Riniker S, Landrum G. Better Informed Distance Geometry: Using What We Know to Improve Conformation Generation. Journal of Chemical Information and Modeling. PMID 26575315 DOI: 10.1021/Acs.Jcim.5B00654  0.558
2015 Schneider N, Sayle RA, Landrum GA. 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. PMID 26441310 DOI: 10.1021/acs.jcim.5b00543  0.493
2015 Schneider N, Lowe DM, Sayle RA, Landrum GA. 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. PMID 25647286 DOI: 10.1021/acs.jcim.5b00046  0.545
2015 Schneider N, Lowe DM, Sayle RA, Landrum GA. 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. PMID 25541888 DOI: 10.1021/ci5006614  0.585
2015 Schneider N, Lowe DM, Sayle RA, Landrum GA. 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. DOI: 10.1021/ci5006614  0.544
2014 Riniker S, Wang Y, Jenkins JL, Landrum GA. Using information from historical high-throughput screens to predict active compounds Journal of Chemical Information and Modeling. 54: 1880-1891. PMID 24933016 DOI: 10.1021/Ci500190P  0.543
2013 Riniker S, Fechner N, Landrum GA. 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. PMID 24171408 DOI: 10.1021/Ci400466R  0.574
2013 Riniker S, Landrum GA. Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods. Journal of Cheminformatics. 5: 43. PMID 24063533 DOI: 10.1186/1758-2946-5-43  0.574
2013 Riniker S, Landrum GA. Open-source platform to benchmark fingerprints for ligand-based virtual screening. Journal of Cheminformatics. 5: 26. PMID 23721588 DOI: 10.1186/1758-2946-5-26  0.563
2013 Riniker S, Landrum GA. Similarity maps - A visualization strategy for molecular fingerprints and machine-learning methods Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-43  0.514
2013 Riniker S, Landrum GA. Open-source platform to benchmark fingerprints for ligand-based virtual screening Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-26  0.517
2002 Decker A, Landrum GA, Dronskowski R. Structural and electronic Peierls distortions in the elements (B): The antiferromagnetism of chromium Zeitschrift Fur Anorganische Und Allgemeine Chemie. 628: 303-309. DOI: 10.1002/1521-3749(200201)628:1<303::AID-ZAAC303>3.0.CO;2-W  0.481
2002 Decker A, Landrum GA, Dronskowski R. Structural and electronic Peierls distortions in the elements (A): The crystal structure of tellurium Zeitschrift Fur Anorganische Und Allgemeine Chemie. 628: 295-302. DOI: 10.1002/1521-3749(200201)628:1<295::AID-ZAAC295>3.0.CO;2-T  0.493
2000 Landrum GA, Dronskowski R. Reply. Angewandte Chemie (International Ed. in English). 39: 4475-4476. PMID 11169640 DOI: 10.1002/1521-3773(20001215)39:24<4475::AID-ANIE4475>3.0.CO;2-V  0.43
2000 Landrum GA, Dronskowski R. The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys. Angewandte Chemie (International Ed. in English). 39: 1560-1585. PMID 10820443 DOI: 10.1002/(SICI)1521-3773(20000502)39:9<1560::AID-ANIE1560>3.0.CO;2-T  0.5
2000 Zumdick MF, Landrum GA, Dronskowski R, Hoffmann RD, Pöttgen R. Structure, chemical bonding, and properties of ZrIn2, IrIn2, and Ti3Rh2In3 Journal of Solid State Chemistry. 150: 19-30. DOI: 10.1006/Jssc.1999.8541  0.528
1997 Wang S, Mitzi DB, Landrum GA, Genin H, Hoffmann R. Synthesis and solid state chemistry of CH3BiI2: A structure with an extended one-dimensional organometallic framework Journal of the American Chemical Society. 119: 724-732. DOI: 10.1021/Ja961753H  0.491
1996 Nuspl G, Polborn K, Evers J, Landrum GA, Hoffmann R. The Four-Connected Net in the CeCu(2) Structure and Its Ternary Derivatives. Its Electronic and Structural Properties. Inorganic Chemistry. 35: 6922-6932. PMID 11666868 DOI: 10.1021/Ic9602557  0.468
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