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Record W2186256212

DRUG DISCOVERY Product focused drug discovery

2003· article· en· W2186256212 on OpenAlexaboutno aff
Robert S. DeWitte

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsnot available
Fundersnot available
KeywordsDrug discoveryMindsetNew product developmentDrug developmentProduct (mathematics)Pharmaceutical industryComputer scienceData scienceEngineeringBusinessDrugChemistryPharmacologyMedicineMarketingArtificial intelligence
DOInot available

Abstract

fetched live from OpenAlex

Advanced Chemistry Development 702-90 Adelaide West Toronto, Ontario M5H 3V9, Canada Tel +416 368 3435 x228 Fax +416 368 5596 robert.dewitte@acdlabs.com P harmaceutical research has a big problem. Development and Discovery are two independent activities with a very narrow bridge between them. That’s when they’re in the same company. More often nowadays, compounds are discovered and developed by different organizations. In order to deliver compounds to development organizations that are truly developable, Discovery needs to adopt a product focus, or a “developability” focus. Certainly the first wave of this has begun: predictive ADMET, in which I include in vitro and in silico attempts to qualify compounds early on. There’s more to developing a drug than bioavailability and toxicity, however, and the coupling between Discovery and Development can be made much more efficient, if considerations such as formulation and manufacturing can be imparted to the Discovery mindset, and if precious know how from Discovery can roll forward into Development.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.003
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.061
Threshold uncertainty score0.203

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0030.003
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0030.003
Science and technology studies0.0010.001
Scholarly communication0.0040.003
Open science0.0030.003
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.0610.043

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.018
GPT teacher head0.272
Teacher spread0.254 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2003
Admission routes1
Has abstractyes

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