| Machine learning methods to predict density functional theory B3LYP energies of HOMO and LUMO orbitals F Pereira, K Xiao, DARS Latino, C Wu, Q Zhang, J Aires-de-Sousa Journal of chemical information and modeling 57 (1), 11-21, 2017 | 187 | 2017 |
| enviPath–The environmental contaminant biotransformation pathway resource J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner Nucleic acids research 44 (D1), D502-D508, 2016 | 165 | 2016 |
| Design, synthesis and biological evaluation of novel isoniazid derivatives with potent antitubercular activity F Martins, S Santos, C Ventura, R Elvas-Leitão, L Santos, S Vitorino, ... European journal of medicinal chemistry 81, 119-138, 2014 | 134 | 2014 |
| Expert system for predicting reaction conditions: the Michael reaction case G Marcou, J Aires de Sousa, DARS Latino, A de Luca, D Horvath, ... Journal of chemical information and modeling 55 (2), 239-250, 2015 | 89 | 2015 |
| A big data approach to the ultra-fast prediction of DFT-calculated bond energies X Qu, DARS Latino, J Aires-de-Sousa Journal of cheminformatics 5, 1-13, 2013 | 73 | 2013 |
| Chemoinformatics and computational chemical biology J Bajorath, J Bajorath Humana Press, 2011 | 68 | 2011 |
| Comparison of multiple linear regressions and neural networks based QSAR models for the design of new antitubercular compounds C Ventura, DARS Latino, F Martins European journal of medicinal chemistry 70, 831-845, 2013 | 59 | 2013 |
| Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data DARS Latino, J Wicker, M Gütlein, E Schmid, S Kramer, K Fenner Environmental Science: Processes & Impacts 19 (3), 449-464, 2017 | 57 | 2017 |
| Assignment of EC numbers to enzymatic reactions with MOLMAP reaction descriptors and random forests DARS Latino, J Aires-de-Sousa Journal of chemical information and modeling 49 (7), 1839-1846, 2009 | 48 | 2009 |
| Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps DARS Latino, QY Zhang, J Aires-de-Sousa Bioinformatics 24 (19), 2236-2244, 2008 | 45 | 2008 |
| Genome-scale classification of metabolic reactions: a chemoinformatics approach DA Latino, J Aires-de-Sousa Angewandte Chemie 118 (13), 2120, 2006 | 44 | 2006 |
| A Chemoinformatics Approach to the Discovery of Lead-Like Molecules from Marine and Microbial Sources En Route to Antitumor and Antibiotic Drugs F Pereira, DARS Latino, SP Gaudêncio Marine drugs 12 (2), 757-778, 2014 | 35 | 2014 |
| QSAR-assisted virtual screening of lead-like molecules from marine and microbial natural sources for antitumor and antibiotic drug discovery F Pereira, DARS Latino, SP Gaudêncio Molecules 20 (3), 4848-4873, 2015 | 32 | 2015 |
| Mapping potential energy surfaces by neural networks: The ethanol/Au (1 1 1) interface DARS Latino, RPS Fartaria, FFM Freitas, J Aires-de-Sousa, ... Journal of Electroanalytical Chemistry 624 (1-2), 109-120, 2008 | 31 | 2008 |
| Evaluating the environmental parameters that determine aerobic biodegradation half-lives of pesticides in soil with a multivariable approach Y Wang, A Lai, D Latino, K Fenner, DE Helbling Chemosphere 209, 430-438, 2018 | 30 | 2018 |
| Estimation of mayr electrophilicity with a quantitative structure–property relationship approach using empirical and DFT descriptors F Pereira, DARS Latino, J Aires-de-Sousa The Journal of Organic Chemistry 76 (22), 9312-9319, 2011 | 26 | 2011 |
| A QSPR approach for the fast estimation of DFT/NBO partial atomic charges Q Zhang, F Zheng, R Fartaria, DARS Latino, X Qu, T Campos, T Zhao, ... Chemometrics and Intelligent Laboratory Systems 134, 158-163, 2014 | 24 | 2014 |
| Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation DARS Latino, FFM Freitas, J Aires‐De‐Sousa, FMS Silva Fernandes International Journal of Quantum Chemistry 107 (11), 2120-2132, 2007 | 23 | 2007 |
| Effects of natural monoamine oxidase inhibitors on anxiety-like behavior in zebrafish O Jaka, I Iturria, M Van der Toorn, J Hurtado de Mendoza, DARS Latino, ... Frontiers in pharmacology 12, 669370, 2021 | 18 | 2021 |
| Approach to potential energy surfaces by neural networks. A review of recent work DARS Latino, RPS Fartaria, FFM Freitas, J Aires‐De‐Sousa, ... International Journal of Quantum Chemistry 110 (2), 432-445, 2010 | 13 | 2010 |
Florbela PereiraLAQV and REQUIMTE, Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade Nova deVerified email at fct.unl.pt
