Opportunities and challenges using artificial intelligence in ADME/Tox

Autor: W. Patrick Walters, Cornelis E. C. A. Hop, Barun Bhhatarai, Sean Ekins, Guido Lanza

Publikováno v: Nat Mater

A recent conference organized a panel of scientists representing small and big pharma companies, who work at the interface of machine learning (ML) and absorption, distribution, metabolism, excretion, and toxicology (ADME/Tox). With the recent rebirt

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::afbdf98b8f75a333f744a03cc24efd8e
https://doi.org/10.1038/s41563-019-0332-5

Acylideneoxoindoles: a new class of reversible inhibitors of human transglutaminase 2

Autor: Brian C. Raimundo, Paul E. Boardman, Andrew Spencer, Kihang Choi, Guido Lanza, Cornelius Klöck, Xi Jin, Chaitan Khosla, John H. Griffin, Peter B. Madrid

Publikováno v: Bioorganicmedicinal chemistry letters. 21(9)

Inhibitors of human transglutaminase 2 (TG2) are anticipated to be useful in the therapy of a variety of diseases including celiac sprue as well as certain CNS disorders and cancers. A class of 3-acylidene-2-oxoindoles was identified as potent revers

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::97135970c5f7c5214d1a4dbbde693fc8
https://pubmed.ncbi.nlm.nih.gov/21215619

Automatic Computational Discovery of Chemical Reaction Networks Using Genetic Programming

Autor: Jessen Yu, Guido Lanza, John R. Koza, William Mydlowec, Martin A. Keane

Publikováno v: Lecture Notes in Computer Science ISBN: 9783540739197
Computational Discovery of Scientific Knowledge

The concentrations of substances participating in networks of chemical reactions are often modeled by non-linear continuous-time differential equations. Recent work has demonstrated that genetic programming is capable of automatically creating comple

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0b2da947966a263d935d866690730cd4
https://doi.org/10.1007/978-3-540-73920-3_10

A global observational analysis to understand changes in air quality during exceptionally low anthropogenic emission conditions

Autor: Ranjeet S. Sokhi, Vikas Singh, Xavier Querol, Sandro Finardi, Admir Créso Targino, Maria de Fatima Andrade, Radenko Pavlovic, Rebecca M. Garland, Jordi Massagué, Shaofei Kong, Alexander Baklanov, Lu Ren, Oksana Tarasova, Greg Carmichael, Vincent-Henri Peuch, Vrinda Anand, Graciela Arbilla, Kaitlin Badali, Gufran Beig, Luis Carlos Belalcazar, Andrea Bolignano, Peter Brimblecombe, Patricia Camacho, Alejandro Casallas, Jean-Pierre Charland, Jason Choi, Eleftherios Chourdakis, Isabelle Coll, Marty Collins, Josef Cyrys, Cleyton Martins da Silva, Alessandro Domenico Di Giosa, Anna Di Leo, Camilo Ferro, Mario Gavidia-Calderon, Amiya Gayen, Alexander Ginzburg, Fabrice Godefroy, Yuri Alexandra Gonzalez, Marco Guevara-Luna, Sk. Mafizul Haque, Henno Havenga, Dennis Herod, Urmas Hõrrak, Tareq Hussein, Sergio Ibarra, Monica Jaimes, Marko Kaasik, Ravindra Khaiwal, Jhoon Kim, Anu Kousa, Jaakko Kukkonen, Markku Kulmala, Joel Kuula, Nathalie La Violette, Guido Lanzani, Xi Liu, Stephanie MacDougall, Patrick M. Manseau, Giada Marchegiani, Brian McDonald, Swasti Vardhan Mishra, Luisa T. Molina, Dennis Mooibroek, Suman Mor, Nicolas Moussiopoulos, Fabio Murena, Jarkko V. Niemi, Steffen Noe, Thiago Nogueira, Michael Norman, Juan Luis Pérez-Camaño, Tuukka Petäjä, Stuart Piketh, Aditi Rathod, Ken Reid, Armando Retama, Olivia Rivera, Néstor Y. Rojas, Jhojan P. Rojas-Quincho, Roberto San José, Odón Sánchez, Rodrigo J. Seguel, Salla Sillanpää, Yushan Su, Nigel Tapper, Antonio Terrazas, Hilkka Timonen, Domenico Toscano, George Tsegas, Guus J.M. Velders, Christos Vlachokostas, Erika von Schneidemesser, Rajasree VPM, Ravi Yadav, Rasa Zalakeviciute, Miguel Zavala

Publikováno v: Environment International, Vol 157, Iss , Pp 106818- (2021)

This global study, which has been coordinated by the World Meteorological Organization Global Atmospheric Watch (WMO/GAW) programme, aims to understand the behaviour of key air pollutant species during the COVID-19 pandemic period of exceptionally lo

Externí odkaz: https://doaj.org/article/26ef7a0886234fbbb9111e89f22610f7

Modeling the Effect of COVID-19 Lockdown on Mobility and NO2 Concentration in the Lombardy Region

Autor: Andrea Piccoli, Valentina Agresti, Alessandra Balzarini, Marco Bedogni, Riccardo Bonanno, Elena Collino, Filippo Colzi, Matteo Lacavalla, Guido Lanzani, Guido Pirovano, Federico Riva, Giuseppe Maurizio Riva, Anna Maria Toppetti

Publikováno v: Atmosphere, Vol 11, Iss 12, p 1319 (2020)

Recent observation and modeling-based studies have shown how air quality has been positively affected by the containment measures enforced due to the COVID-19 outbreak. This work aims to analyze Lombardy’s NO2 atmospheric concentration during the s

Externí odkaz: https://doaj.org/article/d4b4d15fbe1f4eeb86c0f96a3a48fea5