diff --git a/README.md b/README.md
index d2a0f00..e08d80a 100644
--- a/README.md
+++ b/README.md
@@ -1,2 +1,68 @@
-# tox24challenge
-Dataset used in Tox24 challenge
+Tox24 Challenge Dataset
+===========
+
+This repository contains molecular structures and descriptors for the Tox24 challenge prepared by me (team name: **filipsPL**). The goal of the challenge was to predict the in vitro activity of compounds' activity against [Transthyretin (TTR)](https://en.wikipedia.org/wiki/Transthyretin) using chemical structure data.
+
+- [Tox24 Challenge Dataset](#tox24-challenge-dataset)
+  - [Dataset](#dataset)
+  - [Descriptors](#descriptors)
+  - [Importance of features](#importance-of-features)
+  - [The Challenge Results](#the-challenge-results)
+  - [References](#references)
+
+
+## Dataset
+
+This repository includes:
+
+- The [chemical structures](data/smiles_org+fixed.csv) provided by the organizers and curated by me using my RDKit pipeline.
+- **Training set** - a diversified set of 1000 compounds, used for training models [data/train.csv.xz](data/train.csv.xz)
+- **Validation set**: a diversified set of 100 compounds, used for final validation of models [data/validation.csv.xz](data/validation.csv.xz)
+- **Test set**: 500 compounds used to make predictions. It contains a leaderboard set (200 compounds) and a blind set (300 compounds) [data/test.csv.xz](data/test.csv.xz)
+
+## Descriptors
+
+The csv files contain 2D descriptors of molecules, including:
+
+- DRKitDescriptors (2D)
+- molecular fingerprints:
+  - CDK:
+    - CDKECFP4
+    - CDKEState
+    - CDKFCFP4
+    - CDKmolprop
+    - CDKpubchem
+    - CDKstandard
+  - Indigo fingerprints:
+    - IndigoResonanceSubstructure
+    - IndigoSimilarity
+  - RDKit fingerprints:
+    - RDkitFP-AtomPair
+    - RDkitFP-Avalon
+    - RDkitFP-FeatMorgan4
+    - RDkitFP-Layered
+    - RDkitFP-MACCS
+    - RDkitFP-Morgan2
+    - RDkitFP-Morgan3
+    - RDkitFP-Morgan4
+    - RDkitFP-Pattern
+    - RDkitFP-RDKit
+    - RDkitFP-Torsion
+
+## Importance of features
+
+Feature importances according to the final catboost model
+
+![bar plot](feature_importance.png)
+
+
+## The Challenge Results
+
+Bar plot showing RMSE of submitted predictions (by me, based on the official results). Congratulations to the winning team Amidoff 🎉!
+
+![rank](ranking.png)
+
+## References
+
+1. [OCHEM Platform for Tox24](https://ochem.eu/static/challenge.do)
+2. [Chem. Res. Toxicol. 2024, 37, 6, 825–826](https://pubs.acs.org/doi/10.1021/acs.chemrestox.4c00192)
diff --git a/data/smiles_org+fixed.csv b/data/smiles_org+fixed.csv
new file mode 100644
index 0000000..360e353
--- /dev/null
+++ b/data/smiles_org+fixed.csv
@@ -0,0 +1,201 @@
+SMILES_org,SMILES_fixed
+CC1=CC[C@H]2C[C@@H]1C2(C)C,CC1=CC[C@H]2C[C@@H]1C2(C)C
+CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O,CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
+CCCCCC[C@@H](O)C/C=C\CCCCCCCC(O)=O,CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
+Cl/C=C/Cl,Cl/C=C/Cl
+NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O,Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
+FC1=CC=C(Br)C=C1,Fc1ccc(Br)cc1
+CCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCO
+OCCN1CCNCC1,OCCN1CCNCC1
+CN(C)N,CN(C)N
+[Cl-].C[N+]1(C)CCCCC1,C[N+]1(C)CCCCC1
+ClCC(Cl)CCl,ClCC(Cl)CCl
+NCC1=CC(CN)=CC=C1,NCc1cccc(CN)c1
+OC(CCl)CCl,OC(CCl)CCl
+CC(C)C1=CC(=CC=C1)C(C)C,CC(C)c1cccc(C(C)C)c1
+OCNC(=O)NCO,O=C(NCO)NCO
+CCCCC(CC)COCCO,CCCCC(CC)COCCO
+O=CC(CC1=CC=C(C(C)(C)C)C=C1)C,CC(C=O)Cc1ccc(C(C)(C)C)cc1
+OCC(CO)(CO)[N+]([O-])=O,O=[N+]([O-])C(CO)(CO)CO
+S1C=2C(N=C1SC(SC#N)([H])[H])=C(C(=C(C2[H])[H])[H])[H],N#CSCSc1nc2ccccc2s1
+CC(C)(CS(O)(=O)=O)NC(=O)C=C,C=CC(=O)NC(C)(C)CS(=O)(=O)O
+COC1=CC=CC=C1N,COc1ccccc1N
+ClCC(=O)NC1=CC=CC=C1,O=C(CCl)Nc1ccccc1
+CCOCCO,CCOCCO
+CCCCC(CC)C=O,CCCCC(C=O)CC
+CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
+OC(=O)CF,O=C(O)CF
+CCCCCCCCC(CO)CCCCCC,CCCCCCCCC(CO)CCCCCC
+CC(C)(O)C#N,CC(C)(O)C#N
+CC(C)C1=C(O)C=CC=C1,CC(C)c1ccccc1O
+COC1=CC(=CC=C1N)[N+]([O-])=O,COc1cc([N+](=O)[O-])ccc1N
+O=C1OC(=O)C2C3CC(C=C3)C12,O=C1OC(=O)C2C3C=CC(C3)C12
+CC(C)(C)C1=C(O)C=CC=C1,CC(C)(C)c1ccccc1O
+CC(C)(CO)CO,CC(C)(CO)CO
+O1C=CC2=C1C=CC=C2,c1ccc2occc2c1
+CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1,CCCCOC(=O)COc1ccc(Cl)cc1Cl
+CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C,CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
+CC1=CC=C(C)C(=C1)S(O)(=O)=O,Cc1ccc(C)c(S(=O)(=O)O)c1
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+CC(C)CCCC(C)(C)O,CC(C)CCCC(C)(C)O
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+CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O,Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
+OCC(O)CCl,OCC(O)CCl
+CC1=C(Cl)C=C(N)C=C1,Cc1ccc(N)cc1Cl
+CC1=CC(N)=CC=C1,Cc1cccc(N)c1
+CC1=CC=CN=C1,Cc1cccnc1
+OCC=CC1=CC=CC=C1,OCC=Cc1ccccc1
+CC(CCOC(C)=O)CC(C)(C)C,CC(=O)OCCC(C)CC(C)(C)C
+BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1,O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2
+CCCCOC1=CC=C(N)C=C1,CCCCOc1ccc(N)cc1
+NC1=CC=C(Cl)C=C1,Nc1ccc(Cl)cc1
+OC1CCC(CC1)C2CCCCC2,OC1CCC(C2CCCCC2)CC1
+CCC(=C(C1=CC=C(O)C=C1)C2=CC=C(OCCN(C)C)C=C2)C3=CC=CC=C3,CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
+COC1=CC=C(O)C=C1,COc1ccc(O)cc1
+CN1CCOCC1,CN1CCOCC1
+NCCCN1CCOCC1,NCCCN1CCOCC1
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+CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N,CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
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+CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl,CC1COc2ccccc2N1C(=O)C(Cl)Cl
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+CC(C)N1C(SCN(C1=O)C2=CC=CC=C2)=NC(C)(C)C,CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C
+CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]
+CCCCOC(=O)[C@H](C)O,CCCCOC(=O)[C@H](C)O
+CCCCOC(=O)C(C)O,CCCCOC(=O)C(C)O
+CCCC[Sn](Cl)(Cl)Cl,CCCC[Sn](Cl)(Cl)Cl
+[Na+].COC1=CC=C(C=C1)N=NC2=C(OC)C=C(N=NC3=CC=C(C=C3)S([O-])(=O)=O)C(C)=C2,COc1ccc(N=Nc2cc(C)c(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2OC)cc1
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+COC1=CC(Cl)=C(OC)C=C1Cl,COc1cc(Cl)c(OC)cc1Cl
+CC(C)=CCCC(C)=CC#N,CC(C)=CCCC(C)=CC#N
+ClC1=CC=CC=C1C2=NN=C(N=N2)C3=C(Cl)C=CC=C3,Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1
+NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1,O=C(O)c1nc(Cl)ccc1Cl
+O=C1OC2=C(C=CC=C2)C=C1,O=c1ccc2ccccc2o1
+ClC=1C=C2N(C(=O)C(C2=CC1F)C(=O)C=3SC=C(Cl)C3)C(=O)N,NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21
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+BrC(Br)C#N,N#CC(Br)Br
+ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
+OC(=O)C(Cl)Cl,O=C(O)C(Cl)Cl
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+COCCOCCOC,COCCOCCOC
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+COP(=O)OC,CO[PH](=O)OC
+CNC,CNC
+CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
+CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,CN(C)C(=O)C(c1ccccc1)c1ccccc1
+[Hg](C1=CC=CC=C1)C2=CC=CC=C2,c1ccc([Hg]c2ccccc2)cc1
+C[Si](C)(O[Si](C)(C)C=C)C=C,C=C[Si](C)(C)O[Si](C)(C)C=C
+CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
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+O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
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+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
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+O=CCCCC=O,O=CCCCC=O
+C[Si](C)(C)N[Si](C)(C)C,C[Si](C)(C)N[Si](C)(C)C
+ClC1=CC(Cl)=C(C=C1)C(CN2C=CN=C2)OCC=C,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
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+CC(C)CCOC(=O)C1=CC=CC=C1,CC(C)CCOC(=O)c1ccccc1
+CC1=CC(=O)CC(C)(C)C1,CC1=CC(=O)CC(C)(C)C1
+CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O,CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]
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+OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO,OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
+CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1,CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
+CC(=C)C1CCC(C)=CC1,C=C(C)C1CC=C(C)CC1
+COC1=CC2=C(NC=C2CCNC(C)=O)C=C1,COc1ccc2[nH]cc(CCNC(C)=O)c2c1
+CC(C)C1CCC(C)CC1O,CC1CCC(C(C)C)C(O)C1
+[Na+].CNC([S-])=S,CNC(=S)[S-]
+SC(=S)NC.[Na].O,CNC(=S)S
+COC(=O)C1=C(C)C=CC=C1,COC(=O)c1ccccc1C
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC
+N#CSCSC#N,N#CSCSC#N
+COC(=O)C=C(C)OP(=O)(OC)OC,COC(=O)C=C(C)OP(=O)(OC)OC
+OC(=O)C1=C(C=CC=C1)C(=O)OCC2=CC=CC=C2,O=C(O)c1ccccc1C(=O)OCc1ccccc1
+CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(Cl)C=C2,CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
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