Publications and Citations

  Title Journal Citations
1 Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmation PeerJ. 2014 Aug 14;2:e524. 5
2 Parallel Worlds of Public and Commercial Bioactive Chemistry Data J Med Chem. 2015 Mar 12; 58(5): 2068–2076. 9
3 Capturing mixture composition: an open machine-readable format for representing mixed substances J Cheminform. 2019 May 23;11(1):33. 0
4 Bioassay Templates for the Semantic Web PeerJ Computer Science. 2016 May 9; 2:e61 4
5 Data Mining and Computational Modeling of High-Throughput Screening Datasets Reporter Gene Assays: Methods and Protocols. 2018:197-221 3
6 Post-processing of Large Bioactivity Data Methods Mol Biol. 2019;1939:37-47. 0
7 Academic, Commercial, and Biodefense Case Studies for Collaborative Drug Discovery: Potential for Disrupting Drug Discovery Collaborative Innovation in Drug Discovery. Wiley, 2014 Apr 4, 1
8 How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM) Methods Mol Biol. 2019;1939:49-69. 0
9 Small-molecule Bioactivity Databases High Throughput Screening Methods: Evolution and Refinement. 2017 Dec 8(16). 3
10 Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB) Drug Discov Today. 2017 Mar; 22(3): 555–565. 2
11 The Collaborative Drug Discovery (CDD) Database In Silico Models for Drug Disc. 2013 Mar; 139-154. 21
12 Bigger Data, Collaborative Tools and the Future of Predictive Drug Discovery Methods Mol Biol. 2018; 1755: 197–221. 8
13 Data Mining and Computational Modeling of High Throughput Screening Datasets Trends Microbiol. 2011 Feb; 19(2): 65–74. 1
14 Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery Trends Microbiol. 2011 Feb; 19(2): 65–74. 29
15 Learning from the past for TB drug discovery in the future Drug Discov Today. 2017 Mar; 22(3): 534–545. 7
16 Bayesian Models Leveraging Bioactivity and Cytotoxicity Information for Drug Discovery Chem Biol. 2013 Mar 21; 20(3): 370–378. 39
17 Microbiol Spectr. 2017 Jan; 5(1): 10.1128/microbiolspec.TBTB2-0031-2016. Version 1. F1000Res. 2014; 3: 261. 8
18 Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery PLoS One. 2015; 10(10): e0141076. 1
19 Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery PLoS Negl Trop Dis. 2015 Jun; 9(6): e0003878. 22
20 Combining Cheminformatics Methods and Pathway Analysis To Identify Molecules With Whole-Cell Activity Against Mycobacterium tuberculosis Pharm Res. 2012 Aug; 29(8): 2115–2127. 17
21 Enhancing Hit Identification in Mycobacterium tuberculosis Drug Discovery Using Validated Dual-Event Bayesian Models PLoS One. 2013; 8(5): e63240. 28
22 Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets J Chem Inf Model. 2015 Jun 22; 55(6): 1231–1245. 29
23 Open drug discovery for the Zika virus Version 1. F1000Res. 2016; 5: 150. 20
24 Combining Computational Methods for Hit to Lead Optimization in Mycobacterium tuberculosis Drug Discovery Pharm Res. 2014 Feb; 31(2): 414–435. 29
25 Open Source Bayesian Models. 3. Composite Models for Prediction of Binned Responses J Chem Inf Model . 2016 Feb 22;56(2):275-85. 6
26 The Next Era: Deep Learning in Pharmaceutical Research Pharm Res. 2016 Nov;33(11):2594-603. 30
27 Learning from the past for TB drug discovery in the future Drug Discov Today. 2017 Mar;22(3):534-545. 9
28 Ten simple rules of live tweeting at scientific conferences PLoS Comput Biol. 2014 Aug 21;10(8):e1003789. 14
29 Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I Tuberculosis (Edinb). 2017 Mar;103:52-60. 4
30 Addressing the Metabolic Stability of Antituberculars through Machine Learning ACS Med Chem Lett. 2017 Sep 14;8(10):1099-1104. 4
31 Predictive modeling targets thymidylate synthase ThyX in Mycobacterium tuberculosis Sci Rep. 2016 Jun 10;6:27792. 6
32 A collaborative database and computational models for tuberculosis drug discovery Mol Biosyst. 2010 May;6(5):840-51. 37
33 A multitarget approach to drug discovery inhibiting Mycobacterium tuberculosis PyrG and PanK Sci Rep. 2018 Feb 16;8(1):3187. 3
34 Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods Pharm Res. 2016 Jan;33(1):194-205. 4
35 A brief review of recent Charcot-Marie-Tooth research and priorities F1000Res. 2015 Feb 26;4:53. 12
36 Making Transporter Models for Drug-Drug Interaction Prediction Mobile Drug Metab Dispos. 2015 Oct;43(10):1642-5. 7
37 The EU approved antimalarial pyronaridine shows antitubercular activity and synergy with rifampicin, targeting RNA polymerase Tuberculosis (Edinb). 2018 Sep;112:98-109. 2
38 Raising awareness of the importance of funding for tuberculosis small-molecule research Drug Discov Today. 2017 Mar;22(3):487-491 2
39 Databases and collaboration require standards for human stem cell research Drug Discov Today. 2015 Feb;20(2):247-54. 4
40 Finding small molecules for the 'next Ebola' F1000Res. 2015 Feb 27;4:58. 8
41 Computational prediction and validation of an expert's evaluation of chemical probes J Chem Inf Model. 2014 Oct 27;54(10):2996-3004. 11
42 TB Mobile: a mobile app for anti-tuberculosis molecules with known targets J Cheminform. 2013 Mar 6;5(1):13. 18
43 Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG Chem Biol. 2015 Jul 23;22(7):917-27. 15
44 Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery Drug Discov Today. 2009 Mar;14(5-6):261-70. 42
45 A Phenotypic Based Target Screening Approach Delivers New Antitubercular CTP Synthetase Inhibitors ACS Infect Dis. 2017 Jun 9;3(6):428-437. 8
46 Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015) J Chem Inf Model. 2016 Jul 25;56(7):1332-43. 6
47 Open Source Bayesian Models. 2. Mining a "Big Dataset" To Create and Validate Models with ChEMBL J Chem Inf Model. 2015 Jun 22;55(6):1246-60. 24
48 A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA J Chem Inf Model. 2015 Mar 23;55(3):645-59. 11
49 Machine learning models identify molecules active against the Ebola virus in vitro F1000Res. 2015 Oct 20;4:1091. 25
50 Fusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation J Chem Inf Model. 2013 Nov 25;53(11):3054-63. 12
51 New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0 J Cheminform. 2014 Aug 4;6:38. 20
52 Hacking into the granuloma: could antibody antibiotic conjugates be developed for TB? Tuberculosis (Edinb). 2014 Dec;94(6):715-6. 1
53 Evolution of a thienopyrimidine antitubercular relying on medicinal chemistry and metabolomics insights Tetrahedron Lett. 2015 Jun 3;56(23):3246-3250. 4
54 Curing TB with open science Tuberculosis (Edinb). 2014 Mar;94(2):183-5. 3
55 Shedding Light on Synergistic Chemical Genetic Connections with Machine Learning Cell Syst. 2015 Dec 23;1(6):377-9. 2
56 Targeting Mycobacterium tuberculosis topoisomerase I by small-molecule inhibitors Antimicrob Agents Chemother. 2015 Mar;59(3):1549-57. 15
57 A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus F1000Res. 2014 Nov 14;3:277. 21
58 Minding the gaps in tuberculosis research Drug Discov Today. 2014 Sep;19(9):1279-82. 5
59 Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis Mol Biosyst. 2010 Nov;6(11):2316-2324. 32
60 Inhibition of Mycobacterium tuberculosis topoisomerase I by m-AMSA, a eukaryotic type II topoisomerase poison Biochem Biophys Res Commun. 2014 Apr 18;446(4):916-20. 12
61 Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis Tuberculosis (Edinb). 2014 Mar;94(2):162-9. 15
62 Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets Pharm Res. 2011 Aug;28(8):1859-69. 21
63 Predicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data Pharm Res. 2016 Feb;33(2):433-49. 14
64 Collecting rare diseases F1000Res. 2014 Oct 31;3:260. 0
65 Bottlenecks caused by software gaps in miRNA and RNAi research Pharm Res. 2012 Jul;29(7):1717-21. 0
66 Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data J Cheminform. 2015 Mar 22;7:9. 5
67 Looking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosis J Chem Inf Model. 2014 Apr 28;54(4):1070-82. 18
68 Fusing Dual-Event Datasets for Mycobacterium Tuberculosis Machine Learning Models and their Evaluation J Chem Inf Model. 2013 Nov 25; 53(11): 3054–3063. 12
69 Are Bigger Datasets Better for Machine Learning? Fusing Single-Point and Dual-event Dose Response Data For Mycobacterium tuberculosis J Chem Inf Model. 2014 Jul 28; 54(7): 2157–2165. 12
70 Towards integrated web-based tools in drug discovery Touch Briefings – Drug Discovery, 6: 17-21, 2009 15
71 Chemical space: missing pieces in cheminformatics Pharm Res. 2010 Oct;27(10):2035-9 10
72 The Combinatorial Index Academic Press, 1998,Page xvii 0
73 Chemoinformatics: Theory, Practice, & Products: Theory, Practice, and Products Springer Netherlands, 2007, XI, 295 0
74 Using Machine Learning to Parse Chemical Mixture Descriptions ACS Omega. 2021 Aug 31;6(34):22400-22409 0
  Title Journal Citations
1 Development and Validation of a Phenotypic High-Content Imaging Assay for Assessing the Antiviral Activity of Small-Molecule Inhibitors Targeting Zika Virus Antimicrob Agents Chemother. 2018 Sep 24;62(10):e00725-18. 7
2 High-Throughput Drug Screening Identifies a Potent Wnt Inhibitor that Promotes Airway Basal Stem Cell Homeostasis Cell Rep. 2020 Feb 18; 30(7): 2055–2064.e5. 0
3 Modeling Progressive Fibrosis with Pluripotent Stem Cells Identifies an Anti-fibrotic Small Molecule Cell Rep. 2019 Dec 10; 29(11): 3488–3505.e9. 1
4 Exploring the new horizons of drug repurposing: A vital tool for turning hard work into smart work Eur J Med Chem. 2019 Nov 15; 182: 111602. 2
5 Review of Drug Repositioning Approaches and Resources Int J Biol Sci. 2018; 14(10): 1232–1244. 43
6 D3R Grand Challenge 2: Blind Prediction of Protein-Ligand Poses, Affinity Rankings, and Relative Binding Free Energies J Comput Aided Mol Des. 2018 Jan; 32(1): 1–20. 51
7 D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions J Comput Aided Mol Des. 2016 Sep;30(9):651-668. 68
8 A comprehensive model for assessment of liver stage therapies targeting Plasmodium vivax and Plasmodium falciparum Nat Commun. 2018; 9: 1837. 23
9 MPX-004 and MPX-007: New Pharmacological Tools to Study the Physiology of NMDA Receptors Containing the GluN2A Subunit PLoS One. 2016; 11(2): e0148129. 16
10 Plasmodium vivax Liver and Blood Stages Recruit the Druggable Host Membrane Channel Aquaporin-3 Cell Chem Biol. 2020 Jun 18; 27(6): 719–727.e5. 0
11 Optimal 10-Aminoartemisinins With Potent Transmission-Blocking Capabilities for New Artemisinin Combination Therapies–Activities Against Blood Stage P. falciparum Including PfKI3 C580Y Mutants and Liver Stage P. berghei Parasites Front Chem. 2019; 7: 901. 2
12 Discovery of Anti-Amoebic Inhibitors from Screening the MMV Pandemic Response Box on Balamuthia mandrillaris, Naegleria fowleri, and Acanthamoeba castellanii Pathogens. 2020 Jun; 9(6): 476. 0
13 Lack of Influence of Substrate on Ligand Interaction with the Human Multidrug and Toxin Extruder, MATE1 Mol Pharmacol. 2016 Sep; 90(3): 254–264. 0
14 Development of a High Throughput Screen for the Identification of Inhibitors of Peptidoglycan O-Acetyltransferases, New Potential Antibacterial Targets Antibiotics (Basel). 2019 Jun; 8(2): 65. 2
15 Predictive modeling targets thymidylate synthase ThyX in Mycobacterium tuberculosis Sci Rep. 2016; 6: 27792. 6
16 Discovery of a small molecule promoting mouse and human osteoblast differentiation via activation of p38 MAPK-beta Cell Chem Biol. 2019 Jul 18; 26(7): 926–935.e6. 2
17 Identification of 4-Amino-Thieno[2,3-d]Pyrimidines as QcrB Inhibitors in Mycobacterium tuberculosis mSphere. 2019 Sep-Oct; 4(5): e00606-19. 0
18 Predicting kinase inhibitors using bioactivity matrix derived informer sets PLoS Comput Biol. 2019 Aug; 15(8): e1006813. 0
19 Neuronal PAS domain 2 (Npas2) facilitated osseointegration of titanium implant with rough surface through a neuroskeletal mechanism Biomaterials. 2019 Feb; 192: 62–74. 2
20 Topical small molecule granzyme B inhibitor improves remodeling in a murine model of impaired burn wound healing Exp Mol Med. 2018 May; 50(5): 68. 3
21 Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Datasets Mol Pharm. 2017 Dec 4; 14(12): 4462–4475. 21
22 Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice Nat Commun. 2017; 8: 750. 35
23 Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase Nat Chem Biol. 2016 Oct; 12(10): 838–844. 21
24 Fatostatin Inhibits Cancer Cell Proliferation by Affecting Mitotic Microtubule Spindle Assembly and Cell Division J Biol Chem. 2016 Aug 12; 291(33): 17001–17008. 7
25 Novel Cephalosporins Selectively Active on Nonreplicating Mycobacterium tuberculosis J Med Chem. 2016 Jul 14; 59(13): 6027–6044. 13
26 The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space Mol Inform. 2012 Aug; 31(8): 543–546. 1
27 Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors PLoS One. 2019; 14(7): e0218897. 2
28 New Quinolone-Based Thiosemicarbazones Showing Activity Against Plasmodium falciparum and Mycobacterium tuberculosis Molecules. 2019 May; 24(9): 1740. 2
29 4-Aryl pyrrolidines as a novel class of orally efficacious antimalarial agents. Part 1: Evaluation of 4-aryl-N-benzylpyrrolidine-3-carboxamides J Med Chem. 2019 Apr 11; 62(7): 3503–3512. 1
30 Cinnamoyl-Oxaborole Amides: Synthesis and Their in Vitro Biological Activity Molecules. 2018 Aug; 23(8): 2038. 3
31 Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014–2015) J Chem Inf Model. 2016 Jul 25; 56(7): 1332–1343. 6
32 Fluorescent RNA aptamers as a tool to study RNA-modifying enzymes Cell Chem Biol. 2016 Mar 17; 23(3): 415–425. 12
33 Bilayer Effects of Antimalarial Compounds PLoS One. 2015; 10(11): e0142401. 4
34 Parallel Worlds of Public and Commercial Bioactive Chemistry Data J Med Chem. 2015 Mar 12; 58(5): 2068–2076. 9
35 Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration Mol Inform. 2012 Aug; 31(8): 585–597. 13
36 Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials J Agric Food Chem. 2012 Feb 29; 60(8): 1914–1920. 2
37 Redefining Cheminformatics with Intuitive Collaborative Mobile Apps Mol Inform. 2012 Aug; 31(8): 569–584. 8
38 Structure Activity Relationship for FDA Approved Drugs as Inhibitors of the Human Sodium Taurocholate Co-transporting Polypeptide (NTCP) Mol Pharm. 2013 Mar 4; 10(3): 1008–1019. 0
39 Novel Inhibitors of InhA Efficiently Kill Mycobacterium tuberculosis under Aerobic and Anaerobic Conditions Antimicrob Agents Chemother. 2011 Aug; 55(8): 3889–3898. 33
40 Further Structure-Activity Relationship Studies on 8-Substituted-3-[2-(diarylmethoxyethylidenyl)]-8-azabicyclo[3.2.1]octane Derivatives at Monoamine Transporters Bioorg Med Chem. 2011 Dec 15; 19(24): 7551–7558. 1
41 Molecular Determinants of Ligand Selectivity for the Human Multidrug and Toxin Extruder Proteins MATE1 and MATE2-K J Pharmacol Exp Ther. 2012 Jun; 341(3): 743–755. 27
42 Drug Discovery for Schistosomiasis: Hit and Lead Compounds Identified in a Library of Known Drugs by Medium-Throughput Phenotypic Screening PLoS Negl Trop Dis. 2009 Jul; 3(7): e478. 93
43 Drug screens of NGLY1 deficiency in worm and fly models reveal catecholamine, NRF2 and anti-inflammatory-pathway activation as potential clinical approaches Dis Model Mech. 2019 Nov 1; 12(11): dmm040576. 1
44 Repurposing the aldose reductase inhibitor and diabetic neuropathy drug epalrestat for the congenital disorder of glycosylation PMM2-CDG Dis Model Mech. 2019 Nov 1; 12(11): dmm040584. 2
45 Urea Derivatives of 2-Aryl-benzothiazol-5-amines: A New Class of Potential Drugs for Human African Trypanosomiasis J Med Chem. 2017 Feb 9; 60(3): 957–971. 7
46 Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors Bioorg Med Chem. 2017 Mar 1; 25(5): 1571–1584. 2
47 Chemical dissection of the cell cycle: probes for cell biology and anti-cancer drug development Cell Death Dis. 2014 Oct; 5(10): e1462. 23
48 Identification and Characterization of Hundreds of Potent and Selective Inhibitors of Trypanosoma brucei Growth from a Kinase-Targeted Library Screening Campaign PLoS Negl Trop Dis. 2014 Oct; 8(10): e3253. 21
49 Optimization of Methionyl tRNA-Synthetase Inhibitors for Treatment of Cryptosporidium Infection Antimicrob Agents Chemother. 2019 Apr; 63(4): e02061-18. 5
50 Pruned Machine Learning Models to Predict Aqueous Solubility ACS Omega. 2020 Jul 14; 5(27): 16562–16567. 0
51 A Cell-based Screen in Actinomyces oris to Identify Sortase Inhibitors Sci Rep. 2020; 10: 8520. 0
52 Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials ACS Infect Dis. 2020 Apr 10; 6(4): 613–628. 0
53 Optimization of Physicochemical Properties for 4-Anilinoquinazoline Inhibitors of Trypanosome Proliferation Eur J Med Chem. 2017 Dec 1; 141: 446–459. 3
54 Versatility of 7-Substituted Coumarin Molecules as Antimycobacterial Agents, Neuronal Enzyme Inhibitors and Neuroprotective Agents Molecules. 2017 Oct; 22(10): 1644. 2
55 Addressing the Metabolic Stability of Antituberculars through Machine Learning ACS Med Chem Lett. 2017 Oct 12; 8(10): 1099–1104. 4
56 Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13 Cell. 2017 Jul 13; 170(2): 249–259.e25. 21
57 Documenting and Harnessing the Biological Potential of Molecules in Distributed Drug Discovery (D3) Virtual Catalogs Chem Biol Drug Des. 2017 Nov; 90(5): 909–918. 1
58 Targeting phenotypically tolerant Mycobacterium tuberculosis Microbiol Spectr. 2017 Jan; 5(1): 10.1128/microbiolspec.TBTB2-0031-2016. 29
59 A small molecule screen to identify regulators of let-7 targets Sci Rep. 2017; 7: 15973. 3
60 Computational Cell Cycle Profiling of Cancer Cells for Prioritizing FDA-Approved Drugs with Repurposing Potential Sci Rep. 2017; 7: 11261. 7
61 Repurposing human Aurora kinase inhibitors as leads for anti-protozoan drug discovery Medchemcomm. 2014 May 1; 5(5): 655–658. 22
62 Synthesis and evaluation of human phosphodiesterases (PDE) 5 inhibitor analogs as trypanosomal PDE inhibitors. 2. Tadalafil analogs Bioorg Med Chem Lett. 2012 Apr 1; 22(7): 2582–2584. 9
63 Protozoan Parasite Growth Inhibitors Discovered by Cross-Screening Yield Potent Scaffolds for Lead Discovery J Med Chem. 2015 Jul 23; 58(14): 5522–5537. 13
64 The Pharmaceutical Commons: Sharing and Exclusion in Global Health Drug Development Sci Technol Human Values. 2015 Jan; 40(1): 3–29. 8
65 Evaluation of pyrrolidine and pyrazolone derivatives as inhibitors of trypanosomal phosphodiesterase B1 (TbrPDEB1) Tetrahedron Lett. 2015 May 20; 56(21): 2832–2835. 3
66 Development of a microbial dose response visualization and modelling application for QMRA modelers and educators Environ Model Softw. 2017 Feb; 88: 74–83. 2
67 3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping ACS Chem Biol. 2016 Aug 19; 11(8): 2244–2253. 11
68 Identification of “Preferred” Human Kinase Inhibitors for Sleeping Sickness Lead Discovery. Are Some Kinases Better than Others for Inhibitor Repurposing? ACS Infect Dis. 2016 Mar 11; 2(3): 180–186. 11
69 Establishment of a Structure–Activity Relationship of 1H-Imidazo[4,5-c]quinoline-Based Kinase Inhibitor NVP-BEZ235 as a Lead for African Sleeping Sickness J Med Chem. 2014 Jun 12; 57(11): 4834–4848. 14
70 Synthesis and assessment of catechol diether compounds as inhibitors of trypanosomal phosphodiesterase B1 (TbrPDEB1) Bioorg Med Chem Lett. 2013 Nov 1; 23(21) 3
71 Potent and Selective Inhibition of Plasma Membrane Monoamine Transporter by HIV Protease Inhibitors Drug Metab Dispos. 2015 Nov; 43(11): 1773–1780. 14
72 Antiprion compounds that reduce PrPSc levels in dividing and stationary-phase cells Bioorg Med Chem. 2013 Dec 15; 21(24): 7999–8012. 4
73 Human Immunodeficiency Virus Protease Inhibitors Interact with ATP Binding Cassette Transporter 4/Multidrug Resistance Protein 4: A Basis for Unanticipated Enhanced Cytotoxicity Mol Pharmacol. 2013 Sep; 84(3): 361–371. 11
74 Small molecule drug screening in Drosophila identifies the 5HT2A receptor as a feeding modulation target Sci Rep. 2013; 3: srep02120. 56
75 Synthesis and evaluation of human phosphodiesterases (PDE) 5 inhibitor analogs as trypanosomal PDE inhibitors. 1. Sildenafil analogs Bioorg Med Chem Lett. 2012 Apr 1; 22(7): 2579–2581. 8
76 EVALUATION OF AROMATIC 6-SUBSTITUTED THIENOPYRIMIDINES AS SCAFFOLDS AGAINST PARASITES THAT CAUSE TRYPANOSOMIASIS, LEISHMANIASIS, AND MALARIA Medchemcomm. 2015 Feb; 6(2): 339–346. 6
77 Identification of Potent Inhibitors of the Trypanosoma brucei Methionyl-tRNA Synthetase via High Throughput Orthogonal Screening J Biomol Screen. 2015 Jan; 20(1): 122–130. 18
78 Finding New Collaboration Models for Enabling Neglected Tropical Disease Drug Discovery PLoS Negl Trop Dis. 2014 Jul; 8(7): e2866. 4
79 Novel compounds lowering the cellular isoform of the human prion protein in cultured human cells Bioorg Med Chem. 2014 Mar 15; 22(6): 1960–1972. 7
80 Transgenic parasites accelerate drug discovery Trends Parasitol. 2012 Mar; 28(3): 90–92. 5
81 The Affinity of D2-Like Dopamine Receptor Antagonists Determines the Time to Maximal Effect on Cocaine Self-Administration J Pharmacol Exp Ther. 2011 Aug; 338(2): 724–728. 3
82 Identification of Novel Activators of Constitutive Androstane Receptor from FDA-approved Drugs by Integrated Computational and Biological Approaches Pharm Res. 2013 Feb; 30(2): 489–501. 14
83 Validation of the proteasome as a therapeutic target in Plasmodium using an epoxyketone inhibitor with parasite-specific toxicity Chem Biol. 2012 Dec 21; 19(12): 1535–1545. 31
84 Identifying apicoplast-targeting antimalarials using high-throughput compatible approaches FASEB J. 2011 Oct; 25(10): 3583–3593. 43
85 A molecular screening approach to identify and characterize inhibitors of glioblastoma stem cells Mol Cancer Ther. 2011 Oct; 10(10): 1818–1828. 39
86 A High-Throughput Screen To Identify Inhibitors of ATP Homeostasis in Non-replicating Mycobacterium tuberculosis ACS Chem Biol. 2012 Jul 20; 7(7): 1190–1197. 56
87 Kinetoplastids: related protozoan pathogens, different diseases J Clin Invest. 2008 Apr 1; 118(4): 1301–1310. 204
88 BioChemUDM: a unified data model for compounds and assays J Pure and Applied Chemistry. 2022 Jun 16 0

 

  Title Patent ID Filing Date
1 Hybrid Machine-User Learning System and Process for Identifying, Accurately Selecting and Storing Scientific Data 9,594,743 July 25, 2014
2 Systems And Methods For Generating And Searching A Chemical Compound Database 17,196,420 March 13, 2020
3 Systems and methods for generating reproduced order-dependent representations of a chemical compound 17/709,614 April 8, 2021
4 End-to-End Generation (provisional)  63/338,487 May 5, 2022