ReviewMolecules (Basel, Switzerland)2016
Chemoinformatics: Achievements and Challenges, a Personal View.
Review in Molecules (Basel, Switzerland), 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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
22 citing papers in PubMed.
- 1,5-Disubstituted Tetrazoles as Promising Anticancer Resistance Agents: A Chemoinformatic Characterization.ACS omega · 2026Article
- Metabolomics: Fundamentals, Methods, Analysis, Limits, and Recommendations.Advances in experimental medicine and biology · 2026Review
- On the pursuit of the true impact of our actions in science.Frontiers in research metrics and analytics · 2026Article
- From molecules to data: the emerging impact of chemoinformatics in chemistry.Journal of cheminformatics · 2025Review
- Several distance and degree-based molecular structural attributes of cove-edged graphene nanoribbons.Heliyon · 2024Article
- Recent Advances in Machine-Learning-Based Chemoinformatics: A Comprehensive Review.International journal of molecular sciences · 2023Review
- Computational Approaches Drive Developments in Immune-Oncology Therapies for PD-1/PD-L1 Immune Checkpoint Inhibitors.International journal of molecular sciences · 2023Review
- Review
- Biotechnological Innovations from Ocean: Transpiring Role of Marine Drugs in Management of Chronic Disorders.Molecules (Basel, Switzerland) · 2022Review
- The Evolution of Data-Driven Modeling in Organic Chemistry.ACS central science · 2021Review
- Comparison of Machine Learning Methods towards Developing Interpretable Polyamide Property Prediction.Polymers · 2021Article
- Graph Neural Networks as a Potential Tool in Improving Virtual Screening Programs.Frontiers in chemistry · 2021Review
- Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.Frontiers in immunology · 2021Review
- Data-Driven Molecular Dynamics: A Multifaceted Challenge.Pharmaceuticals (Basel, Switzerland) · 2020Review
- Relevant Applications of Generative Adversarial Networks in Drug Design and Discovery: MolecularMolecules (Basel, Switzerland) · 2020Review
- Molecular Modeling Applied to the Discovery of New Lead Compounds for P2 Receptors Based on Natural Sources.Frontiers in pharmacology · 2020Review
- In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs.Biomolecules · 2018Article
- Review
- Chemoinformatics: a perspective from an academic setting in Latin America.Molecular diversity · 2018Article
- Tools for the cryo-EM gold rush: going from the cryo-EM map to the atomistic model.Bioscience reports · 2017Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Chemoinformatics provides computer methods for learning from chemical data and for modeling tasks a chemist is facing. The field has evolved in the past 50 years and has substantially shaped how chemical research is performed by providing access to chemical information on a scale unattainable by traditional methods. Many physical, chemical and biological data have been predicted from structural data. For the early phases of drug design, methods have been developed that are used in all major pharmaceutical companies. However, all domains of chemistry can benefit from chemoinformatics methods; many areas that are not yet well developed, but could substantially gain from the use of chemoinformatics methods. The quality of data is of crucial importance for successful results. Computer-assisted structure elucidation and computer-assisted synthesis design have been attempted in the early years of chemoinformatics. Because of the importance of these fields to the chemist, new approaches should be made with better hardware and software techniques. Society's concern about the impact of chemicals on human health and the environment could be met by the development of methods for toxicity prediction and risk assessment. In conjunction with bioinformatics, our understanding of the events in living organisms could be deepened and, thus, novel strategies for curing diseases developed. With so many challenging tasks awaiting solutions, the future is bright for chemoinformatics.
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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.