ArticleJournal of computer-aided molecular design2020
Focused Library Generator: case of Mdmx inhibitors.
Article in Journal of computer-aided molecular design, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 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.
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Who cites it
8 citing papers in PubMed.
- Be aware of overfitting by hyperparameter optimization!Journal of cheminformatics · 2024Article
- Therapeutic Potential of Targeting Prokineticin Receptors in Diseases.Pharmacological reviews · 2023Review
- More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins.International journal of molecular sciences · 2022Article
- Article
- Artificial intelligence in chemistry and drug design.Journal of computer-aided molecular design · 2020Article
- GEN: highly efficient SMILES explorer using autodidactic generative examination networks.Journal of cheminformatics · 2020Article
- Transformer-CNN: Swiss knife for QSAR modeling and interpretation.Journal of cheminformatics · 2020Article
- Validation Study of QSAR/DNN Models Using the Competition Datasets.Molecular informatics · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We present a Focused Library Generator that is able to create from scratch new molecules with desired properties. After training the Generator on the ChEMBL database, transfer learning was used to switch the generator to producing new Mdmx inhibitors that are a promising class of anticancer drugs. Lilly medicinal chemistry filters, molecular docking, and a QSAR IC
Indexed as
Identifiers
31677002What 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.