Accelerate Your Drug Transport Research with #Cell4Pharma Vesicular Transport #Assay Kits!
🔗 https://www.stratech.co.uk/our-partners/cell4pharma/
🔬 Available for key transporters: P-gp, BSEP, MRP family, BCRP.
📦 Order now & take your ADME studies to the next level!
#DrugDiscovery #Pharmacology #ADME

If you’re working on gut #NAMs, #tox, or #ADME and wondering which platform to pick (or how to tune your media), we hope this gives a practical roadmap.

And if you made it this far, thanks for reading – happy to answer questions! 👇

Enhancing molecular property prediction through data integration and consistency assessment - Journal of Cheminformatics Data heterogeneity and distributional misalignments pose critical challenges for machine learning models, often compromising predictive accuracy. These challenges are exemplified in preclinical safety...

#AssayInspector: a must-have open tool to assess the risk of directly aggregating data from different sources before constructing ML models.

Full article:
📖 jcheminf.biomedcentral.com/articles/10....

#DataQuality #DataIntegration #DataHeterogeneity #ModelQuality #ADME #PreclinicalSafety #NAMs

Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning The ability to pinpoint and predict sites of metabolism (SoMs) is essential for designing and optimizing effective and safe bioactive small molecules. However, the number of molecules with annotated S...

And Part II of our Metabolite Identification (MetID) Data in Drug Discovery is out: pubs.acs.org/doi/10.1021/... Here we explore application of MetID proprietary data to expand the capacity of site-of-metabolism (SoM) #ML models. The paper and SoM data are both #openacess.

#Zenodo #ADME

🚀 New J. Med. Chem. study: Linker methylation boosts oral bioavailability of VHL-PROTACs.
📊 #alvaDesc linked chemical space to PK for smarter design in #bRo5.

📄 Read the paper: doi.org/10.1021/acs....
🔗 Check alvaDesc at: alvascience.com/alvadesc/

#DrugDiscovery #PROTAC #ADME #chemsky

#Thiosemicarbazones (TSCs) stand out for their structural diversity, bioactivity, & ion-sensing potential🧪 In our Account by Tahmeena Khan & co-workers, tweaking molecular weight, benzene rings, and functional groups can boost #ADME & bioactivity scores.

👉 buff.ly/tPHyu2Q

Have you noticed a discrepancy in compound turnover between liver microsomes and hepatocytes, with accelerated degradation observed in hepatocyte incubations? This could be due to metabolism by aldehyde oxidase. Find out more:
www.domainex.co.uk/services/ald...
#ADME #Metabolism

We have recently updated our #ADME webpage to include details of our ChromLogD service.

ChromLogD is a fast, high-throughput alternative to the shake flask LogD. Find out more information on our website lnkd.in/ed8Ppbjk.

Are you looking for a new #ADME provider? #Domainex offer a wide range of assessments including:
- Physicochemical profiling
- Metabolic stability
- Permeability

Get in touch with our trusted experts through enquiries@domainex.co.uk to find out more about how we can assist you.

Unveiling Repulsion in Intramolecular H-Bonded Systems Intramolecular H-bonds govern molecular conformation and play critical roles in pharmaceutical design, catalysis, and supramolecular chemistry. Despite this, the experimental influence of ortho-substi...

Worth reading if trying to exploit intramolecular hydrogen bonding in #ADME optimization: Smolyar & Cockroft (2025) Unveiling Repulsion in Intramolecular H-Bonded Systems. JACS 47:12381-12385 #Hbond #PhysChem #DrugDesign #MedChem #cheminformatics #OpenAccess #chemsky 🧪
doi.org/10.1021/jacs...

Turbidimetric (Kinetic) Solubility: As in vitro assays require test compounds to be in aqueous solution, it is important for them to be sufficiently soluble at assay concentrations. Domainex’s turbidimetric solubility assay is a cost-efficient, medium-throughput method. The assay is highly customisable, e.g. with regard to compound concentration, buffer, incubation time, etc...

Domainex offers a wide range of #ADME assays. Today we are highlighting our turbidimetric #solubility assay.
www.domainex.co.uk/services/tur...
Our turbidimetric solubility assay is an efficient medium throughput assay which is highly customisable.

Are you developing covalent inhibitors? Get in touch with #Domainex to find out how our GSH reactivity assay can help.
We also offer a wide range of #ADME assays.
Get in touch with us at enquiries@domainex.co.uk to find out more and ask us about our introductory discounts.

Are local or global models better? Why not both? - Inductive Bio Blog

Tired of the local vs. global property-prediction model debate? Why not both? Our blog dives into this debate and provides evidence that a combined global+local approach performs the best. Learn more: inductive.bio/blog/local-v... #DrugDiscovery #ML #ADME #Biotech

Inductive Bio Announces Publication of Successful Drug Optimization Collaboration with Nested Therapeutics Inductive Bio, a leader in leveraging machine learning (ML) to accelerate compound optimization for small molecule drug discovery, announces the publication of the approach and findings from their rec...

Sharing that our exciting work with Nested Therapeutics in drug optimization is published! 🧬Our ML models helped overcome critical ADME issues to advance Nested’s program. Full story: inductive.bio/news/publica... #DrugDiscovery #ML #ADME #Biotech

Free Drug Concepts: A Lingering Problem in Drug Discovery const script = document.createElement("script"); if (typeof PB === "undefined") { console.log("PB not found"); console.log("load osano"); script.id = "osanoScript"; script.type = "text/javascript"; script.async = true; script.src = "https://cmp.osano.com/16BPzAUFV1UoQ26HU/10002854-e376-4b5a-919a-0dd3ef22c9ed/osano.js"; document.head.append(script); } else { if (PB.deps) { console.log("load osano"); script.id = "osanoScript"; script.type = "text/javascript"; script.async = true; script.src = "https://cmp.osano.com/16BPzAUFV1UoQ26HU/10002854-e376-4b5a-919a-0dd3ef22c9ed/osano.js"; document.head.append(script); } else { console.log("don't load osano"); } }

A #FreeToRead article that will help you learn more about #pharmacokinetics and what happens to drugs in vivo: Webborn et al (2025) Free Drug Concepts: A Lingering Problem in #DrugDiscovery. J Med Chem 68:6850–6856 #DrugDesign #MedChem #DMPK #ADME #chemsky 🧪
doi.org/10.1021/acs....

🧪 Inside Recursion’s analytical chemistry lab. 🧪

Chad Bradford, Senior Director of Chemistry, shares our "RADME" (Recursion #ADME) approach for quickly generating chemistry insights – in vitro data – for drugs in development. www.youtube.com/shorts/0OpRp... #TechBio #chemistry

Are you looking for a new #ADME provider? #Domainex offer a wide variety of assessments, including glutathione reactivity. More information can be found on our website: bit.ly/4bECuSL
Get in touch with us at enquiries@domainex.co.uk
#DrugDiscovery #Caco2 #Stability #GSH

Permeability Benchmarking: Guidelines for Comparing in Silico, in Vitro, and in Vivo Measurements Permeability is a measure of the degree to which cells can transport molecules across biological barriers. Units of permeability are distance per unit time (typically cm/s), where accurate measurement...

Jorgensen et al (JCIM 2025) #Permeability Benchmarking: Guidelines for Comparing in Silico, in Vitro, and in Vivo Measurements #cheminformatics #MedChem #CompChem #ADME #OpenAccess #chemsky 🧪
doi.org/10.1021/acs....

To kick off blogging for 2025 here is a post on aqueous #solvation and alkane/water #logP #PhysChem #CompChem #cheminformatics #MedChem #DrugDesign #DrugDiscovery #ADME #chemsky 🧪
fbdd-lit.blogspot.com/2025/03/thin...

Opportunity for Preclinical #DMPK Design Lead at AstraZeneca (Gothenburg Sweden) ref: R-221079 | closing: 17-Mar-2025 #ADME #AnalChem #MedChem #EUChemJobs #ChemJobs #chemsky 🧪
astrazeneca.wd3.myworkdayjobs.com/Careers/job/...

Refined ADME Profiles for ATC Drug Classes Background: Modern generative chemistry initiatives aim to produce potent and selective novel synthetically feasible molecules with suitable pharmacokinetic properties. General ranges of physicochemic...

A nice piece of work from our rising stars Luca Menestrina and Raquel Parrondo! 🔝
🔎 www.mdpi.com/1999-4923/17...

Interested in generating novel small molecules for your new protein targets? Please contact us at info@chemotargets.com.

#ADME #MLmodels #AIDD #generativechemistry #drugclasses

OpenADMET Jobs Seeking talented scientists for the OpenADMET Consortium

Two opportunities at OpenADMET organization (remote) #ADME #ADMET #DMPK #ML #AI #cheminformatics #DataScience #chemsky 🧪
openadmet.org/jobs/

At high doses, enzyme systems saturate, shifting clearance to renal or biliary pathways. Tailored dosing strategies address this complexity. #Pharmacokinetics #ADME

Lipophilicity governs ADME: too lipophilic, and drugs dissolve poorly; too hydrophilic, and they can't penetrate membranes. Optimal balance is key for success. #ADME #DrugDesign #Pharmacology

Ah. Google #adme - unashamedly pushing a dystopian post-truth era, and using the Roman carnival of football clubs to suck us all in.

Chromatographic Determination of Permeability-Relevant Lipophilicity Facilitates Rapid Analysis of Macrocyclic Peptide Scaffolds Hydrocarbon-determined shake-flask measurements have demonstrated great utility for optimizing lipophilicity during early drug discovery. Alternatively, chromatographic methods confer reduced experime...

Koch et al (2024) Chromatographic Determination of Permeability-Relevant #Lipophilicity Facilitates Rapid Analysis of #Macrocyclic #Peptide Scaffolds. J Med Chem ASAP #logP #permeability #ADME #DrugDesign #PhysChem #AnalChem #OpenAccess #chemsky 🧪
doi.org/10.1021/acs....

Bolsa de PD em Planejamento de Fármacos O Centro de Pesquisa e Inovação em Biodiversidade e Fármacos (CIBFar), um Centro de Pesquisa, Inovação e Difusão (CEPID) apoiado pela FAPESP e situado no Inst...

#PostDoc opportunity: #InVitro #phenotypic assays and #ADME assays at University of São Paulo (São Carlos SP Brazil) ref: 2013/07600-3 | duration: 12 months | closing 03-Jul-2024 #Chagas #leishmaniasis #PostDocJobs 🧪
fapesp.br/oportunidade...

Bolsa de PD em Planejamento de Fármacos O Centro de Pesquisa e Inovação em Biodiversidade e Fármacos (CIBFar), um Centro de Pesquisa, Inovação e Difusão (CEPID) apoiado pela FAPESP e situado no Inst...

#PostDoc opportunity: #InVitro #phenotypic assays and #ADME assays at University of São Paulo (São Carlos SP Brazil) ref: 2013/07600-3 | duration: 12 months | closing 03-Jul-2024 #Chagas #leishmaniasis #PostDocJobs
fapesp.br/oportunidade...

Principal Scientist (Director level) Drug Metabolism & Pharmacokinetics, London Discovery job in London, London, United Kingdom | Research & Development jobs at MSD Apply for Principal Scientist (Director level) Drug Metabolism & Pharmacokinetics, London Discovery job with MSD in London, London, United Kingdom. Browse and apply for the Research & Development jobs...

Opportunity for drug metabolism & #pharmacokinetics scientist at MSD (London UK) ref: R299041 | closing: 07-Sep-2024 (UK date format) or 09-Jul-2024 (US date format) #DMPK #PKPD #ADME #UKChemJobs #ChemJobs #chemsky 🧪 jobs.msd.com/gb/en/job/R2...

Here's an article that I recommend to all #DrugDiscovery scientists (especially those who seek to transform the field with #AI/#ML): Smith & Rowland (2019) Drug Metab Disp 47:665-672 #DrugDesign #MedChem #ADME #cheminformatics
doi.org/10.1124/dmd....