Evidence map›Paper›PMID 27796615›Full record

ArticleJournal of computer-aided molecular design2017

Enabling drug discovery project decisions with integrated computational chemistry and informatics.

Vickie Tsui, Daniel F Ortwine, Jeffrey M Blaney

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of computer-aided molecular design, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from 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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Article
  2. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Vickie TsuiDiscovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.
Daniel F OrtwineDiscovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.
Jeffrey M BlaneyDiscovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA. blaney.jeff@gene.com.ORCID 0000-0001-9505-552X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Computational chemistry/informatics scientists and software engineers in Genentech Small Molecule Drug Discovery collaborate with experimental scientists in a therapeutic project-centric environment. Our mission is to enable and improve pre-clinical drug discovery design and decisions. Our goal is to deliver timely data, analysis, and modeling to our therapeutic project teams using best-in-class software tools. We describe our strategy, the organization of our group, and our approaches to reach this goal. We conclude with a summary of the interdisciplinary skills required for computational scientists and recommendations for their training.

Indexed as

Computer-Aided DesignDrug DesignModels, MolecularChemistry, PharmaceuticalComputational BiologyDrug DiscoveryMolecular Dynamics SimulationSoftwareCheminformaticsComputational chemistryDiscoveryDrugDrug designGenentechSoftware

Identifiers

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

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.