alvascience Profile Banner
Alvascience Profile
Alvascience

@alvascience

Followers
390
Following
262
Media
703
Statuses
1K

Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH

Joined February 2019
Don't wanna be here? Send us removal request.
@alvascience
Alvascience
8 days
πŸš€ We’re pleased to introduce alvaQSAR, a new free web platform for predicting chemical properties using QSAR models. alvaQSAR simplifies the process from structure input to report generation, no installation needed.
Tweet media one
1
1
1
@alvascience
Alvascience
2 hours
New paper by PaixΓ£o et al. identifies potential SmTGR inhibitors against schistosomiasis using docking, ADMET, and QSAR. Molecular descriptors were computed with #alvaDesc. πŸ§ͺ πŸ”— #DrugDiscovery #Cheminformatics #QSAR
Tweet media one
0
0
0
@alvascience
Alvascience
1 day
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Mean information content on the distance equality has been proposed in "On topological characterization of molecular branching" . Check #alvaDesc at:
Tweet media one
0
0
0
@alvascience
Alvascience
2 days
Hosni et al. used alvaDesc to develop ML models predicting Yield Sooting Index (YSI) of hydrocarbons, with uncertainty estimation. A QSPR approach applied to combustion chemistry. More on alvaDesc: #QSPR #Combustion #SootingIndex
Tweet media one
0
1
1
@alvascience
Alvascience
3 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Mean information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana. Check #alvaDesc at:
Tweet media one
0
1
2
@alvascience
Alvascience
6 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Total information content on the distance equality has been proposed in "On topological characterization of molecular branching" . Check #alvaDesc at:
Tweet media one
0
1
1
@alvascience
Alvascience
7 days
New study in Pharmaceuticals (2025) by Bueso-Bordils et al. explores topological models derived from pharmacokinetic equations to support antibacterial drug discovery. Glad to see alvaMolecule used for dataset curation!. πŸ“„ πŸ”—
Tweet media one
0
0
1
@alvascience
Alvascience
8 days
Powered by alvaDesc molecular descriptors, it currently supports prediction of:. πŸ”Ή Biomagnification Factor.πŸ”Ή Bioconcentration Factor.πŸ”Ή Ready Biodegradability.πŸ”Ή Daphnia magna LCβ‚…β‚€.πŸ”Ή Fathead minnow LCβ‚…β‚€. More endpoints will be added soon.
1
1
1
@alvascience
Alvascience
8 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Total information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana. Check #alvaDesc at:
Tweet media one
0
0
1
@alvascience
Alvascience
9 days
πŸ”¬ New paper in Molecular Diversity by Biswas et al. presents a multilayered approach for identifying novel leishmanicidal agents using 2-aminobenzimidazole scaffolds. πŸ§ͺ alvaDesc was used to calculate #moleculardescriptors for #QSAR modeling.πŸ“–
Tweet media one
0
0
2
@alvascience
Alvascience
9 days
πŸš€ All Alvascience tools are fully optimized for Apple Silicon (M1/M2/M3)!. Enjoy faster performance on macOS for molecular descriptors, QSAR/QSPR modeling, and more. πŸ”— #cheminformatics #AppleSilicon #QSAR #QSPR #alvaDesc #Alvascience
Tweet media one
0
0
0
@alvascience
Alvascience
10 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Information index on molecular size has been proposed in Bertz, S. H. The First General Index of Molecular Complexity. via @J_A_C_S . Check #alvaDesc at:
Tweet media one
0
0
1
@alvascience
Alvascience
13 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Kupchik connectivity index is based on Kupchik vertex degree. Check #alvaDesc at:
Tweet media one
0
0
0
@alvascience
Alvascience
14 days
πŸ§ͺ New paper by Liu et al. shows how farthest point sampling in a chemical feature space (built with alvaDesc) boosts ML on small datasets. πŸ“ˆ Smarter sampling = better predictions. Read: More on #alvaDesc: #QSAR #Cheminformatics
Tweet media one
0
0
0
@alvascience
Alvascience
15 days
#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Reciprocal distance sum inverse Randić-like index has been proposed in "Design of topological indices. Part 4. Reciprocal distance. " . Check #alvaDesc at:
Tweet media one
0
0
0
@alvascience
Alvascience
16 days
AlvaDesc and alvaModel have been used in "Evaluation of the lipophilicity of morpholino propiophenones by reversed-phase thin-layer chromatography and computational methods" Check Alvascience tools at: . #cheminformatics
Tweet media one
0
0
0
@alvascience
Alvascience
16 days
πŸš€ alvaDesc 3.0 is here!. The next-gen tool for calculating molecular descriptors, fingerprints & structural patterns. πŸ”— Learn more: πŸ“½οΈ Watch the intro video: #cheminformatics #QSAR #molecularmodeling #moleculardescriptors.
0
1
1
@alvascience
Alvascience
16 days
Learn how to import external variables and define your target in alvaModel for QSAR/QSPR modeling. πŸ“˜ More on alvaModel: πŸ“½οΈ #QSAR #QSPR #Cheminformatics #alvaModel #alvascience.
0
0
0
@alvascience
Alvascience
16 days
RT @ML_Chem: Prediction of Dielectric Constant in Series of Polymers by Quantitative Structure-Property Relationship (QSPR) #machinelearnin….
0
8
0