qsar modeling Search Results


admet predictor qsar model  (ADMET Predictor)
90
ADMET Predictor admet predictor qsar model
Admet Predictor Qsar Model, supplied by ADMET Predictor, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/admet+predictor+qsar+model/10__1016_slash_j__chemosphere__2017__03__026-207-3-1
Average 90 stars, based on 1 article reviews
admet predictor qsar model - by Bioz Stars, 2026-10
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qsar models  (MultiCASE Inc)
90
MultiCASE Inc qsar models
Qsar Models, supplied by MultiCASE Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+models/pmc06740247-358-11-16
Average 90 stars, based on 1 article reviews
qsar models - by Bioz Stars, 2026-10
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qsar models solubility  (AstraZeneca ltd)
90
AstraZeneca ltd qsar models solubility
Qsar Models Solubility, supplied by AstraZeneca ltd, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+models/pm32459965-233-51-46
Average 90 stars, based on 1 article reviews
qsar models solubility - by Bioz Stars, 2026-10
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3d-qsar pharmacophore generation  (Hypogen Inc)
90
Hypogen Inc 3d-qsar pharmacophore generation
3d Qsar Pharmacophore Generation, supplied by Hypogen Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/3d+qsar+pharmacophore+models/10__1039_slash_c6ra24959k-35-21-24
Average 90 stars, based on 1 article reviews
3d-qsar pharmacophore generation - by Bioz Stars, 2026-10
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molecular modelling  (Applied Chemometrics)
90
Applied Chemometrics molecular modelling
Molecular Modelling, supplied by Applied Chemometrics, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+modeling+software/pm32841928-19-8-5
Average 90 stars, based on 1 article reviews
molecular modelling - by Bioz Stars, 2026-10
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qsar model database  (Joint Research Center)
90
Joint Research Center qsar model database
Qsar Model Database, supplied by Joint Research Center, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+model+database/pm25794480-228-12-9
Average 90 stars, based on 1 article reviews
qsar model database - by Bioz Stars, 2026-10
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predictive regression models  (OChem Inc)
90
OChem Inc predictive regression models
Predictive Regression Models, supplied by OChem Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+models/pmc07827895-251-4-16
Average 90 stars, based on 1 article reviews
predictive regression models - by Bioz Stars, 2026-10
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commercial qsar models  (ACD Labs Inc)
90
ACD Labs Inc commercial qsar models
Commercial Qsar Models, supplied by ACD Labs Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/commercial+qsar+models/pmc11435505-246-24-27
Average 90 stars, based on 1 article reviews
commercial qsar models - by Bioz Stars, 2026-10
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molecular model  (Verlag GmbH)
90
Verlag GmbH molecular model
Molecular Model, supplied by Verlag GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/statistical+modelling+of+molecular+descriptors+in+qsar+qspr/10__1002_slash_pamm__201510344-22-13-32
Average 90 stars, based on 1 article reviews
molecular model - by Bioz Stars, 2026-10
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protopred  (Protoqsar)
90
Protoqsar protopred
List of predictive software selected for the benchmark
Protopred, supplied by Protoqsar, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/qsar+model+from+protopred/pmc11674477-165-0-2
Average 90 stars, based on 1 article reviews
protopred - by Bioz Stars, 2026-10
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3d-qsar models  (Schrodinger LLC)
90
Schrodinger LLC 3d-qsar models
<t>3D-QSAR</t> model contour maps obtained with the five force fields and represented around the most active inhibitor in the dataset (compound 103 , HSCH 2 CO–Trp–Tyr–NH 2 ). ( A ) Steric—the favorable and unfavorable components are in green (G1 and G2) and in yellow (Y1), respectively. ( B ) Electrostatic—the favorable and unfavorable components are in blue (B1 and B2) and in red (R1 and R2), respectively. ( C ) Hydrogen bond (HB)–donor—the favorable and unfavorable components are in white (W1 and W2) and in cyan (C1), respectively, and ( D ) HB–acceptor—the favorable components are in maroon (M1, M2, and M3). ( E ) Hydrophobic—the favorable components are in pink (P1, P2, and P3).
3d Qsar Models, supplied by Schrodinger LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/3d+qsar+models/pmc06940830-258-3-10
Average 90 stars, based on 1 article reviews
3d-qsar models - by Bioz Stars, 2026-10
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ames mutagenicity qsar model  (Kemper GmbH)
90
Kemper GmbH ames mutagenicity qsar model
<t>3D-QSAR</t> model contour maps obtained with the five force fields and represented around the most active inhibitor in the dataset (compound 103 , HSCH 2 CO–Trp–Tyr–NH 2 ). ( A ) Steric—the favorable and unfavorable components are in green (G1 and G2) and in yellow (Y1), respectively. ( B ) Electrostatic—the favorable and unfavorable components are in blue (B1 and B2) and in red (R1 and R2), respectively. ( C ) Hydrogen bond (HB)–donor—the favorable and unfavorable components are in white (W1 and W2) and in cyan (C1), respectively, and ( D ) HB–acceptor—the favorable components are in maroon (M1, M2, and M3). ( E ) Hydrophobic—the favorable components are in pink (P1, P2, and P3).
Ames Mutagenicity Qsar Model, supplied by Kemper GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/qsar+modeling/ames+mutagenicity+qsar+model/10__1007_slash_978___1___4939___7899___1-7572-38-30
Average 90 stars, based on 1 article reviews
ames mutagenicity qsar model - by Bioz Stars, 2026-10
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Image Search Results


List of predictive software selected for the benchmark

Journal: Journal of Cheminformatics

Article Title: Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals

doi: 10.1186/s13321-024-00931-z

Figure Lengend Snippet: List of predictive software selected for the benchmark

Article Snippet: ProtoPRED ( http://www.protopred.protoqsar.com ) v1.0 is a computational platform that implements proprietary QSAR models to predict a wide spectrum of chemical properties.

Techniques: Software

3D-QSAR model contour maps obtained with the five force fields and represented around the most active inhibitor in the dataset (compound 103 , HSCH 2 CO–Trp–Tyr–NH 2 ). ( A ) Steric—the favorable and unfavorable components are in green (G1 and G2) and in yellow (Y1), respectively. ( B ) Electrostatic—the favorable and unfavorable components are in blue (B1 and B2) and in red (R1 and R2), respectively. ( C ) Hydrogen bond (HB)–donor—the favorable and unfavorable components are in white (W1 and W2) and in cyan (C1), respectively, and ( D ) HB–acceptor—the favorable components are in maroon (M1, M2, and M3). ( E ) Hydrophobic—the favorable components are in pink (P1, P2, and P3).

Journal: International Journal of Molecular Sciences

Article Title: Structural Requirements of N -alpha-Mercaptoacetyl Dipeptide (NAMdP) Inhibitors of Pseudomonas Aeruginosa Virulence Factor LasB: 3D-QSAR, Molecular Docking, and Interaction Fingerprint Studies

doi: 10.3390/ijms20246133

Figure Lengend Snippet: 3D-QSAR model contour maps obtained with the five force fields and represented around the most active inhibitor in the dataset (compound 103 , HSCH 2 CO–Trp–Tyr–NH 2 ). ( A ) Steric—the favorable and unfavorable components are in green (G1 and G2) and in yellow (Y1), respectively. ( B ) Electrostatic—the favorable and unfavorable components are in blue (B1 and B2) and in red (R1 and R2), respectively. ( C ) Hydrogen bond (HB)–donor—the favorable and unfavorable components are in white (W1 and W2) and in cyan (C1), respectively, and ( D ) HB–acceptor—the favorable components are in maroon (M1, M2, and M3). ( E ) Hydrophobic—the favorable components are in pink (P1, P2, and P3).

Article Snippet: Moreover, the field-based 3D-QSAR models were trained in Phase (Phase, Schrodinger LLC, New York, NY, USA, 2016) by the random splitting implemented in this tool, getting a relation training/test sets of approximately 80/20 (95 and 23 compounds in training and test sets, respectively).

Techniques: