Melchor
@melsanm
Followers
762
Following
4K
Media
22
Statuses
5K
Scientist. CompChem & Cheminformatics. Life sciences, Pharma & Biotech. Drug Discovery. Precision medicine. Data science. Computation.
Barcelona
Joined March 2013
Las salidas se acumulan en el Helvetia Anaitasuna;via=mibalonmano;url= https://t.co/zBEvdNFnE5
#asobal #balonmano #handball
mibalonmano.com
El descenso a División de Honor Plata del Helvetia Anaitasuna va a provocar una revolución más que notable en su plantilla para la próxima temporada. A las bajas ya previstas hace semanas se están...
0
0
0
Open-Source Approach to GPU-Accelerated Substructure Search https://t.co/cDfoVi6Goy
@melsanm
#JCIM Vol64 Issue18 #ChemicalInformation
pubs.acs.org
Chemical substructure search is a critical task in medicinal chemistry and small-molecule drug discovery, enabling the retrieval of molecules from databases based on specific chemical features. While...
0
9
33
Our new article has just been published: Open-Source Approach to GPU-Accelerated Substructure Search | Journal of Chemical Information and Modeling https://t.co/pcNa86e6lq
@JCIM_JCTC
pubs.acs.org
Chemical substructure search is a critical task in medicinal chemistry and small-molecule drug discovery, enabling the retrieval of molecules from databases based on specific chemical features. While...
0
7
16
Celebrant els 10 anys de la Nit de CataloniaBio and HealthTech. Enhorabona !!! Bringing Together the Healthcare Business Community @CataloniaBioHT @govern
0
2
6
If you face the problem of "is there an #enzyme for my reaction", it's time to test our new #ZYMSCAN tool! Super fast #AI-baked predictions curated by the top scientists at @zymvol. Did I already say FOR FREE? 👇🏻👇🏻👇🏻👇🏻👇🏻
How much time do you waste searching for an enzyme? Going Bio shouldn't be that hard. That's why we created ZYMSCAN. It's online. It's fast. And it's free. Read more on ZYMSCAN: https://t.co/2ydlIOzHW1 Or better yet, try it our yourself: https://t.co/F5umJuruFl
#ZYMSCAN
4
10
27
A new post at Practical Cheminformatics, "AI in Drug Discovery - A Highly Opinionated Literature Review (Part III)". Following up on parts I and II, the third post in the series is a collection of review articles published in 2023 that I found helpful. https://t.co/FtKdlc0KyG
2
27
92
The latest Practical Cheminformatics post introduces a new format, the Ranttorial™, "Comparing Classification Models - You’re Probably Doing It Wrong". https://t.co/VKy0qfVbOw
4
16
83
Here’s the second of three posts reviewing some notable papers from 2023, “AI in Drug Discovery 2023 - A Highly Opinionated Literature Review, Part II”. https://t.co/P1OIy8cmpC
1
24
102
Now out in the NAR database collection: https://t.co/T35CQLm7DS
academic.oup.com
Abstract. ChEMBL (https://www.ebi.ac.uk/chembl/) is a manually curated, high-quality, large-scale, open, FAIR and Global Core Biodata Resource of bioactive
0
14
36
The first Practical Cheminformatics post of the year is a retrospective of papers published in 2023, “AI in Drug Discovery 2023 - A Highly Opinionated Literature Review”. https://t.co/Tan6Ir5kXg
1
40
148
PoSSuM v.3: A Major Expansion of the PoSSuM Database for Finding Similar Binding Sites of Proteins #CADD
https://t.co/CKeze8vRVd
#JCIM Vol63 Issue23 #Bioinformatics
pubs.acs.org
Information on structures of protein–ligand complexes, including comparisons of known and putative protein–ligand-binding pockets, is valuable for protein annotation and drug discovery and developm...
0
15
61
New post at Practical Cheminformatics, “Some Thoughts on Biotech vs Pharma for Computational Chemists”.
0
18
76
Trends in Medicinal Chemistry: KNIME Workflows, QSAR Models, LLMs and Chemical Search Strategies: Medicinal Chemistry…
0
0
2
Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method #DrugDesign
https://t.co/9XBmny2kqV
#JCIM Vol63 Issue21 #compchem
pubs.acs.org
Protein–ligand interactions are essential to drug discovery and drug development efforts. Desirable on-target or multitarget interactions are the first step in finding an effective therapeutic, while...
0
15
62
El mundo se ha despertado con el despido de san Altman, CEO de la empresa OpenAI, autores de ChatGPT ✋🏼 ¿Por qué debería importarte? ✋🏼 Esta noticia revela una lucha entre dos facciones de la empresa que desarrolla la IA que puede cambiar nuestras vidas Te lo explico 👇
49
666
3K
Meet my new boss, our new Head of Discovery & Development Technologies. And yes, we have open positions: For example, a Postdoc position for deep learning in our AIDD group, led by @robofresh: https://t.co/TntZLaB1G4
linkedin.com
Meet Elisabetta Chiarparin, our Head of Discovery & Development Technologies (DDTech). With over 20 years of experience in drug discovery and chemistry leadership, Elisabetta brings a wealth of...
0
1
16
Looking for a #postdoctoralresearcher position? Are you interested in working on anti-viral compounds and modulation of the humoral response against #viralvectors? We are looking for a motivated postdoctoral researcher to work with us!👇 https://t.co/Jzr0AnruHN
es.linkedin.com
Los 277 principales empleos del día de Investigador en España. Sácale el máximo partido a tu red profesional y consigue que te contraten. Se añaden nuevos empleos para Investigador a diario.
0
2
1
Improving success rates for virtual screening would be the way how improved computational approaches (& fire power) could have the most impact on drug discovery. #Chemtwitter: Please share your favorite recently published examples for virtual screening. I want to compile a list!
Nice paper out of @cwcoley lab - Pareto Optimization to Accelerate Multi-Objective Virtual Screening💡 https://t.co/p3PgVT8MP6
3
4
49
Happy to share our new updates about ChEMBL in the NAR database issue:
academic.oup.com
Abstract. ChEMBL (https://www.ebi.ac.uk/chembl/) is a manually curated, high-quality, large-scale, open, FAIR and Global Core Biodata Resource of bioactive
1
17
53