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 |
0.658 |
|
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 |
0.538 |
|
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 |
0.489 |
|
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 |
0.546 |
|
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 |
0.583 |
|
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 |
0.545 |
|
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 |
0.521 |
|
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 |
0.553 |
|
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 |
0.554 |
|
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 |
0.542 |
|
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 |
0.491 |
|
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 |
0.494 |
|
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 |
0.479 |
|
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 |
0.491 |
|
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 |
0.426 |
|
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 |
0.497 |
|
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 |
0.525 |
|
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 |
0.492 |
|
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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