ArticleJournal of computer-aided molecular design2012
Drug design for ever, from hype to hope.
Article in Journal of computer-aided molecular design, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers, 1 of them a synthesis that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
14 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Emerging role of artificial intelligence in therapeutics for COVID-19: a systematic review.Journal of biomolecular structure & dynamics · 2022Pooled it
- Artificial Intelligence Revolution in Pharmaceutical Sciences : Advancements, Clinical Impacts, and Applications.Current pharmaceutical biotechnology · 2026Review
- Leveraging Artificial Intelligence for Synergies in Drug Discovery: From Computers to Clinics.Current pharmaceutical design · 2024Review
- ADis-QSAR: a machine learning model based on biological activity differences of compounds.Journal of computer-aided molecular design · 2023Article
- Development of GBRT Model as a Novel and Robust Mathematical Model to Predict and Optimize the Solubility of Decitabine as an Anti-Cancer Drug.Molecules (Basel, Switzerland) · 2022Article
- Deep learning forActa pharmaceutica Sinica. B · 2019Article
- Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints.Environmental health perspectives · 2018Review
- Molden 2.0: quantum chemistry meets proteins.Journal of computer-aided molecular design · 2017Article
- Recent contributions of structure-based drug design to the development of antibacterial compounds.Current opinion in microbiology · 2015Review
- POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics.Journal of chemical theory and computation · 2014Article
- DOCLASP - Docking ligands to target proteins using spatial and electrostatic congruence extracted from a known holoenzyme and applying simple geometrical transformations.F1000Research · 2014Article
- Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery.Computational and structural biotechnology journal · 2013Review
- Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89.Acta crystallographica. Section F, Structural biology and crystallization communications · 2012Article
- Molecular modeling, docking and ADMET studies towards development of novel Disopyramide analogs for potential inhibition of human voltage gated sodium channel proteins.Bioinformation · 2012Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In its first 25 years JCAMD has been disseminating a large number of techniques aimed at finding better medicines faster. These include genetic algorithms, COMFA, QSAR, structure based techniques, homology modelling, high throughput screening, combichem, and dozens more that were a hype in their time and that now are just a useful addition to the drug-designers toolbox. Despite massive efforts throughout academic and industrial drug design research departments, the number of FDA-approved new molecular entities per year stagnates, and the pharmaceutical industry is reorganising accordingly. The recent spate of industrial consolidations and the concomitant move towards outsourcing of research activities requires better integration of all activities along the chain from bench to bedside. The next 25 years will undoubtedly show a series of translational science activities that are aimed at a better communication between all parties involved, from quantum chemistry to bedside and from academia to industry. This will above all include understanding the underlying biological problem and optimal use of all available data.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.