Cover Image

Democratizing Drug Discovery: A Scalable Open-Source Pipeline for Massive Multi-Target QSAR Modeling Using ChEMBL36

Fuente: Zenodo

Saved in:

Bibliographic Details
Main Authors:	Zaliani, Andrea, Vistoli, Giulio, PEDRETTI, ALESSANDRO, Pisati, Arianna
Format:	Recurso digital
Published:	Zenodo 2026
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

List of approved drugs from ChEMBL
by: Durník, Robin
Published: (2025)

Single-Cell Transcriptomic Identification of Drug Repurposing Candidates for Ankylosing Spondylitis via PBMC scRNA-seq and ChEMBL Target Screening
by: Ritschel, Glen Charles, et al.
Published: (2026)

Neutral representations of finite diagonalizable group schemes and fields of moduli
by: Bresciani, Giulio, et al.
Published: (2026)

Biological Data Resources at the EMBL-EBI
by: Rodrigo Lopez
Published: (2008)

QComp: A QSAR-Based Data Completion Framework for Drug Discovery
by: Yang, Bingjia, et al.
Published: (2024)

Integration of Machine Learning‐QSAR and Polypharmacology in Drug Discovery for Leishmaniasis Using Natural and Repurposed Compounds
by: Laís Salvador do Amaral, et al.
Published: (2025)

Integration of Machine Learning With PBPK and QSAR Modeling Approaches to Facilitate Drug Discovery and Development
by: Xinyue Chen, et al.
Published: (2026)

Enhancing Drug Discovery: Quantum Machine Learning for QSAR Prediction with Incomplete Data
by: Chiang, Wei-Yin, et al.
Published: (2025)

Recipe for Discovery: A Pipeline for Institutional Open Source Activity
by: Gomez, Juanita, et al.
Published: (2025)

Stable cuspidal curves and the integral Chow ring of $\overline{\mathscr{M}}_{2,1}$
by: Di Lorenzo, Andrea, et al.
Published: (2021)

Diferentes gerações: Gênova, julho de 2001
by: ALESSANDRO PORTELLI
Published: (2006)

Reseña sobre "Dialectología Hispánica"*: una obra completa para los investigadores interesados en la lingüística española*
by: ALESSANDRO ORICCHIO
Published: (2023)

EL PARTIDO COMUNISTA ITALIANO Y EL OTRO "COMPROMESSO STORICO": LOS SIGNIFICADOS POLÍTICOS DE LA SOLIDARIDAD CON CHILE (1973-1977)
by: ALESSANDRO SANTONI
Published: (2010)

Predisposición unilateral de cláusulas contractuales y protección del contratante por adhesión: un ejemplo en el derecho romano clásico
by: ALESSANDRO OASSARINO
Published: (2019)

Clivajes sociales, estrategias de los actores y sistema de partidos: la competencia política en la Ciudad de Buenos Aires (1995-2005)
by: MARTÍN ALESSANDRO
Published: (2009)

Chapter Gli studi di Scienza politica
by: CHIARAMONTE, ALESSANDRO
Published: (2025)

Chapter The role of the extra-man play actions in elite water polo matches: which elements lead to a good shot?
by: LUBISCO, ALESSANDRO
Published: (2022)

Chapter Delega di funzioni e delega di firma nel lavoro pubblico contrattualizzato e in quello privato tra obblighi, diritti e responsabilità
by: BOSCATI, ALESSANDRO
Published: (2024)

MODELOS Y ANTIMODELOS DE LA RENOVACIÓN SOCIALISTA. LA REVISTA CONVERGENCIA Y LA CRISIS DEL SOCIALISMO MUNDIAL (1981-1991)
by: ALESSANDRO SANTONI
Published: (2013)

Chapter Per la conoscenza della terminologia delle arti fuori di Toscana fra Tre e Quattrocento. Con alcune spigolature da documenti bolognesi e ferraresi
by: ARESTI, ALESSANDRO
Published: (2022)

Inside Debt Financing
by: POMELLI, ALESSANDRO
Published: (2023)

La variazione semantica del verbo "essere" nelI'italiano parlato
by: PANUNZI, ALESSANDRO
Published: (2022)

Economics of Institutions and Law
by: PETRETTO, ALESSANDRO
Published: (2022)

Chapter Un intervento sottotraccia. L’ospedale della Croce rossa italiana in Corea (1950-55)
by: POLSI, ALESSANDRO
Published: (2024)

Lo Iuav ai Tolentini: Carlo Scarpa e gli altri
by: BRODINI, ALESSANDRO
Published: (2022)

Chapter Unsheathing the Katana. The Long Fortune of the First Two Japanese Embassies in Italy: Rediscovery and Rereading between Continuity and Discontinuity (1873–1905)
by: TRIPEPI, ALESSANDRO
Published: (2022)

LA AUTENTICIDAD Y LA NORMATIVIDAD DE LA IDENTIDAD EN ROUSSEAU
by: ALESSANDRO FERRARA
Published: (2014)

EL PAPEL DE LA ACTIO TRIBUTORIA EN EL SISTEMA DE LOS PROCEDIMIENTOS CONCURSALES ROMANOS
by: ALESSANDRO CASSARINO
Published: (2016)

Democratizing Drug Discovery with an Orchestrated, Knowledge-Driven Multi-Agent Team for User-Guided Therapeutic Design
by: Suzuki, Takahide, et al.
Published: (2025)

The geometric K-theory of quotient stacks
by: Sala, Francesco, et al.
Published: (2025)

Pioneering QSAR Modeling Study of FAP ‐Targeting Radiopharmaceuticals Used in Oncology
by: Dorrin Fatehi, et al.
Published: (2025)

The Use of DeepQSAR Models for the Discovery of Peptides With Enhanced Antimicrobial and Antibiofilm Potential
by: Jiaying You, et al.
Published: (2026)

QSAR-Guided Generative Framework for the Discovery of Synthetically Viable Odorants
by: Pearce, Tim C., et al.
Published: (2025)

Large Language Models in the Crosshairs: A Systematic Review of Modern Cybersecurity Challenges and Applications
by: AUZ COYAGO, GINO ALESSANDRO
Published: (2026)

Can AI Agents Design and Implement Drug Discovery Pipelines?
by: Smbatyan, Khachik, et al.
Published: (2025)

Scalable Integrated Sensing and Communications for Multi-Target Detection and Tracking in Cell-Free Massive MIMO: A Unified Framework
by: Liesegang, Sergi, et al.
Published: (2025)

Reconocimiento y exequátur en Italia de sentencias extranjeras que condenan al pago de daños punitivos
by: ELENA D'ALESSANDRO
Published: (2018)

Incidence and trend of blocking action situations on the temperature and precipitation in Argentina
by: ADELIA P. ALESSANDRO
Published: (2014)

ANÁLISE ESTATÍSTICADO POSICIONAMENTO RELATIVO A PARTIR DO AUSPOS
by: ALESSANDRO SALLES CARVALHO
Published: (2015)

La ciencia política en Argentina 2005-2014: El camino de la consolidación dentro y fuera de las aulas universitarias
by: MARTÍN D’ALESSANDRO
Published: (2015)