Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors. - Carolina Horta Andrade; Kerly F. M. Pasqualoto; Elizabeth I. Ferreira; Anton J. Hopfinger (J. Chem. Inf. Model., 2009)

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents. - Carolina Horta Andrade; Kerly F. M. Pasqualoto; Elizabeth I. Ferreira; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2010)

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni. - Cleber C. Melo-Filho; Rafael Ferreira Dantas; Rodolpho C. Braga; Bruno Junior Neves; Mario R. Senger; Walter C. G. Valente; João M. Rezende-Neto; Willian T. Chaves; Eugene N. Muratov; Ross A. Paveley; Nicholas Furnham; Lee Kamentsky; et al. (J. Chem. Inf. Model., 2016)

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals. - Rodolpho C. Braga; Vinicius M. Alves; Eugene N. Muratov; Judy Strickland; Nicole C. Kleinstreuer; Alexander Tropsha; Carolina Horta Andrade (J. Chem. Inf. Model., 2017)

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models. - Vinicius M. Alves; Alexander Golbraikh; Stephen J. Capuzzi; Kammy Liu; Wai In Lam; Daniel Robert Korn; Diane Pozefsky; Carolina Horta Andrade; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2018)

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships. - Yen S. Low; Vinicius M. Alves; Denis Fourches; Alexander Sedykh; Carolina Horta Andrade; Eugene N. Muratov; Ivan Rusyn; Alexander Tropsha (J. Chem. Inf. Model., 2018)

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents. - Sandra Giuliani; Arthur C. Silva; Joyce V. V. B. Borba; Pablo I. P. Ramos; Ross A. Paveley; Eugene N. Muratov; Carolina Horta Andrade; Nicholas Furnham (PLoS Comput. Biol., 2018)

Deep Learning-driven research for drug discovery: Tackling Malaria. - Bruno Junior Neves; Rodolpho C. Braga; Vinicius M. Alves; Marília N. N. Lima; Gustavo C. Cassiano; Eugene N. Muratov; Fabio T. M. Costa; Carolina Horta Andrade (PLoS Comput. Biol., 2020)

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. - Melina Mottin; Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline Albuquerque; Fabio Urbina; Ana C. Puhl; José Teófilo Moreira-Filho; Guilherme E. Souza; Rafael V. C. Guido; et al. (J. Chem. Inf. Model., 2022)

School of cheminformatics in Latin America. - Karla Gonzalez-Ponce; Carolina Horta Andrade; Fiona M. I. Hunter; Johannes Kirchmair; Karina Martínez-Mayorga; José L. Medina-Franco; Matthias Rarey; Alexander Tropsha; Alexandre Varnek; Barbara Zdrazil (J. Cheminformatics, 2023)

Elevating Virtual Reality Experiences with Olfactory Integration: A Preliminary Review. - Meryck Felipe Brito Da Silva; Igor Henrique Sanches; Joyce Villa Verde Bastos Borba; Ana Carolina de Amorim Barros; Francisco Lucas Feitosa; Rodrigo Mendes De Carvalho; Arlindo Rodrigues Galvão Filho; Carolina Horta Andrade (J. Braz. Comput. Soc., 2024)

Cyto-Safe: A Machine Learning Tool for Early Identification of Cytotoxic Compounds in Drug Discovery. - Francisco Lucas Feitosa; Victoria F. Cabral; Igor Henrique Sanches; Sabrina Silva-Mendonca; Joyce V. V. B. Borba; Rodolpho C. Braga; Carolina Horta Andrade (J. Chem. Inf. Model., 2024)

SOFIA: Advancements in Olfactory Stimuli in Virtual Reality for Immersive Multisensory Experiences and Potential Applications in the Industry 5.0. - Meryck Felipe Brito Da Silva; Pedro Koziel Diniz; Rodrigo Mendes De Carvalho; Miguel Carlos De Almeida Neto; Thalles Haquela Brito Da Silva; Ana Carolina de Amorim Barros; Yasmim Thasla Santos Ferreira; Francisco Lucas Feitosa; João Pedro De Castro Gomes Fernandes; Cleiver Batista Da Silva; Jonas Gomes Da Silva Junior; Alexandre Gomes de Siqueira; et al. (AIxVR, 2025)

Creating an Olfactory Mask Dataset using Computer Vision and LLMs for Virtual Reality Environments. - Meryck Felipe Brito Da Silva; Igor Henrique Sanches; Pedro Koziel Diniz; Rodrigo Mendes De Carvalho; Francisco Lucas Feitosa; Ana Carolina de Amorim Barros; João Pedro De Castro Gomes Fernandes; Cleiver Batista Da Silva; Jonas Gomes Da Silva Junior; Arlindo Rodrigues Galvão Filho; Carolina Horta Andrade (AIxVR, 2025)