Cover Image

Towards the Bioassay Activity Landscape Modeling in Compound Databases

Fuente: Redalyc

Saved in:

Bibliographic Details
Main Author:	José Luis Medina-Franco
Format:	Artículo científico
Language:	en
Published:	Sociedad Química de México 2012
Subjects:	Multidisciplinaria (Ciencias Naturales y Exactas) Chemical space Drug discovery Chemoinformatics Molecular data bases Structure multiple Activity Similarity (SmAS) maps
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Molecular docking: current advances and challenges
by: Fernando D. Prieto-Martínez
Published: (2018)

U-Pb SHRIMP and Sm-Nd geochronology of the Silvânia Volcanics and Jurubatuba Granite: juvenile Paleoproterozoic crust in the basement of the Neoproterozoic Brasília Belt,Goiás, central Brazil
by: Márcio M. Pimentel
Published: (2001)

RPIS_FragmentationLibraries: Molecular Fragments Useful for Design of Molecular Glues for Protein-RNA complexes
by: Luis Vollmers, et al.
Published: (2026)

Optimizing the Spatial Approximation Tree from the Root
by: Alejandro Gomez
Published: (2008)

Sm-Nd age of the fazenda brasileiro gabbro, Bahia, Brazil: example of robust behavior of the Sm-Nd isotopic system under extreme hydrothermal alteration
by: Maria da Glória Silva
Published: (2003)

Strategic approaches to the discovery of biologically active indole derivatives: a comprehensive review.
by: Gao, Gui-Ping, et al.
Published: (2026)

The Glória quartz-monzodiorite: isotopic and chemical evidence of arc-related magmatism in the central part of the paleoproterozoic Mineiro belt, Minas Gerais State, Brazil
by: Umberto G. Cordani
Published: (2006)

Machine Learning-Assisted Discovery of Plant-Derived Bioactives for Crop and Therapeutic Applications
by: Harjot Kaur
Published: (2026)

The 1590-1520 Ma Cachoeirinha magmatic arc and its tectonic implications for the Mesoproterozoic SW Amazonian craton crustal evolution
by: Amarildo S. Ruiz
Published: (2004)

The Sm-Nd isotopic method in the geochronology laboratory of the University of Brasília
by: S.M.C.L. Gioia
Published: (2000)

Herbal Bioactive Targeting Prostate Cancer: A Network Pharmacology and Molecular Mechanism Perspective
by: Shubham Patil1, Ashok Bendgude2, Siddhi Shirahatti3, Ajit Patil4, Godfrey Mathews5
Published: (2026)

SMART-assisted discovery of scalaranes from the marine sponge Lendenfeldia sp. and its anti-osteoclastogenesis activity.
by: Pham, Quoc-Vu, et al.
Published: (2026)

Genome analysis-led discovery of antimicrobial and herbicidal cytochalasans from the cold-seep-sourced endozoic Curvularia verruculosa CS-129.
by: Hu, Xue-Yi, et al.
Published: (2026)

Caylobolide B: Structure Revision, Total Synthesis, Biological Characterization, and Discovery of New Analogues.
by: George, Malcolm R P, et al.
Published: (2026)

Design, Synthesis, and Antibacterial Activity of Long-Chain Alkyl-Substituted DemethyloxyAaptamine Derivatives.
by: Liu, Yingqiu, et al.
Published: (2025)

Identification of novel CLK1 inhibitors by computational fragment-based ligand design, co-crystallization, chemical synthesis and structure activity relationships.
by: Bourg, Stéphane, et al.
Published: (2026)

Ircindrimanes A-I, nine undescribed meroterpenoids with cytotoxic activities from the marine sponge Ircinia sp.
by: Zhang, Wenjie, et al.
Published: (2025)

A remark on soliton equation of mean curvature flow
by: Yang Yang
Published: (2004)

Sirenin and bisabolane sesquiterpenoids from two marine isolates of Penicillium chermesinum with anti-osteoporotic activity by modulating NOD-like receptor signaling pathway.
by: Liu, Yi-Wei, et al.
Published: (2025)

A Cinderella story in antimicrobials: CDPDP's perfect fit for multiple-pathway bacterial inhibition.
by: Ul Hassan, Syed Shams, et al.
Published: (2025)

Stereoselective AChE/BChE/BACE1 inhibition by enantiomeric norsesquiterpenoids with an unprecedented oxatricyclo[7.2.1.0]dodecane scaffold from the soft coral Sclerophytum humesi.
by: Luu, Phuong Vu, et al.
Published: (2026)

Cytotoxicity, apoptosis, molecular docking, and molecular dynamics study of novel compounds of Sulfamide derivatives coupled with DHP scaffolds as potent inhibitors of the MCF-7, A549, SKOV-3, and EA. yh926 carcinoma cells.
by: Abdulrasool, Amjed, et al.
Published: (2026)

Genome mining of nonenzymatic ortho-quinone methide-based pseudonatural products from ascidian-derived fungus Diaporthe sp.SYSU-MS4722.
by: Ren, Shuya, et al.
Published: (2025)

Beauvericin promotes autophagy and mitophagy by activating NIPSNAP2.
by: Zhao, Xue, et al.
Published: (2026)

Talaroindiones A-C, New Polyketides Characterized From the Cold-Seep-Derived Talaromyces indigoticus CS-469.
by: Deng, Ruo-Xi, et al.
Published: (2026)

Sclerohumins G-L: Selective cytotoxic diterpenoids featuring a 4/9-fused ring system from the soft coral Sclerophytum humesi.
by: Luu, Phuong Vu, et al.
Published: (2026)

The evolving chemistry of cADPR analogues: from marine discovery to calcium signaling tools.
by: Falanga, Andrea Patrizia, et al.
Published: (2025)

Unveiling a pyrroloindoline diketopiperazine biosynthetic pathway featuring a phytoene-synthase-like family prenyltransferase with distinct regioselectivity.
by: Duan, He, et al.
Published: (2025)

Phyllofolactones V-X, Bishomoscalaranes With Proangiogenic and Hypolipidemic Activities From Sponge Phyllospongia foliascens.
by: Hu, Bo, et al.
Published: (2025)

Painel de registro de medicamentos sintéticos e semissintéticos no Brasil
by: Juçara Ribeiro Franca
Published: (2021)

Discovery of novel ten-membered lactones as osteoblastogenesis agents targeting Wnt/β-catenin signaling pathway.
by: Zhai, Yi-Jie, et al.
Published: (2026)

In vivo magnetic resonance techniques and drug discovery
by: Nicolau Beckmann
Published: (2006)

Target Screening and Validation of the Antitumor Effect of Saponin Extract From Holothuria leucospilota.
by: Xu, Fuju, et al.
Published: (2025)

Preparation of mitochondria-targeted camptothecin derivatives for the imaging and antiproliferation of colorectal cancer.
by: Xu, Chenmeng, et al.
Published: (2025)

Optimized ebselen derivatives as novel potent Escherichia coli β-glucuronidase covalent allosteric inhibitors.
by: Ying, Ti-Ti, et al.
Published: (2025)

DataScout.jl: Multi-Source Data Discovery Package for Julia
by: LIYAKHATH.SHAIK
Published: (2025)

Total Synthesis of Nocarterphenyl A, 2-Dehydroxymethylnocarterphenyl A and Nocarterphenyl D Produced by Marine spp.
by: Xu, Quan, et al.
Published: (2025)

Path-Weighted Atom Vectors and ChemBERTa Fusion for Predicting Physicochemical Properties
by: Muhammad Zia Afzal, et al.
Published: (2026)

International Journal of Intelligent Computing and Information Sciences
Published: (2024)

Mucoadhesive lignin-liposome nanocarriers of coptisine: A multifunctional strategy against antibiotic-resistant Helicobacter pylori biofilms.
by: Sharaf, Mohamed, et al.
Published: (2026)